4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine

C114H141F2N5O7 — CID 165083755

IUPAC4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine
SMILESC=C(c1ccc(/C=C/C(C)C)cc1)N(C)C.CC(C)/C=C/c1ccc(OC2CC2)cc1F.CC(C)/C=C/c1ccc2c(c1)CC=C2.CC(C)/C=C/c1ccc2c(c1)OC(C)(F)O2.CC(C)/C=C/c1ccc2c(c1)OCO2.CC(C)/C=C/c1ccc2ccn(C)c2c1.CC(C)/C=C/c1ccccn1.CC(C)/C=C/c1cnc2c(c1)OCO2.Cc1ccc(/C=C/C(C)C)nc1
InChIInChI=1S/C15H21N.C14H17FO.C14H17N.C14H16.C13H15FO2.C12H14O2.C11H13NO2.C11H15N.C10H13N/c1-12(2)6-7-14-8-10-15(11-9-14)13(3)16(4)5;1-10(2)3-4-11-5-6-13(9-14(11)15)16-12-7-8-12;1-11(2)4-5-12-6-7-13-8-9-15(3)14(13)10-12;1-11(2)6-7-12-8-9-13-4-3-5-14(13)10-12;1-9(2)4-5-10-6-7-11-12(8-10)16-13(3,14)15-11;1-9(2)3-4-10-5-6-11-12(7-10)14-8-13-11;1-8(2)3-4-9-5-10-11(12-6-9)14-7-13-10;1-9(2)4-6-11-7-5-10(3)8-12-11;1-9(2)6-7-10-5-3-4-8-11-10/h6-12H,3H2,1-2,4-5H3;3-6,9-10,12H,7-8H2,1-2H3;4-11H,1-3H3;3-4,6-11H,5H2,1-2H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3/b7-6+;4-3+;5-4+;7-6+;5-4+;2*4-3+;6-4+;7-6+
InChIKeyVNYMCVRKDWGDLE-YQDPONKXSA-N
MW1731.41 g/mol
LogP30.84
Rot. Bonds22

About 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine

4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine (PubChem CID 165083755) has the molecular formula C114H141F2N5O7 and a molecular weight of 1731.41 g/mol. Its IUPAC name is 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine.

Molecular Properties

Compound Name4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine
PubChem CID165083755
Molecular FormulaC114H141F2N5O7
Molecular Weight1731.41 g/mol
Exact Mass1730.08
IUPAC Name4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine
SMILESC=C(c1ccc(/C=C/C(C)C)cc1)N(C)C.CC(C)/C=C/c1ccc(OC2CC2)cc1F.CC(C)/C=C/c1ccc2c(c1)CC=C2.CC(C)/C=C/c1ccc2c(c1)OC(C)(F)O2.CC(C)/C=C/c1ccc2c(c1)OCO2.CC(C)/C=C/c1ccc2ccn(C)c2c1.CC(C)/C=C/c1ccccn1.CC(C)/C=C/c1cnc2c(c1)OCO2.Cc1ccc(/C=C/C(C)C)nc1
InChIInChI=1S/C15H21N.C14H17FO.C14H17N.C14H16.C13H15FO2.C12H14O2.C11H13NO2.C11H15N.C10H13N/c1-12(2)6-7-14-8-10-15(11-9-14)13(3)16(4)5;1-10(2)3-4-11-5-6-13(9-14(11)15)16-12-7-8-12;1-11(2)4-5-12-6-7-13-8-9-15(3)14(13)10-12;1-11(2)6-7-12-8-9-13-4-3-5-14(13)10-12;1-9(2)4-5-10-6-7-11-12(8-10)16-13(3,14)15-11;1-9(2)3-4-10-5-6-11-12(7-10)14-8-13-11;1-8(2)3-4-9-5-10-11(12-6-9)14-7-13-10;1-9(2)4-6-11-7-5-10(3)8-12-11;1-9(2)6-7-10-5-3-4-8-11-10/h6-12H,3H2,1-2,4-5H3;3-6,9-10,12H,7-8H2,1-2H3;4-11H,1-3H3;3-4,6-11H,5H2,1-2H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3/b7-6+;4-3+;5-4+;7-6+;5-4+;2*4-3+;6-4+;7-6+
InChIKeyVNYMCVRKDWGDLE-YQDPONKXSA-N
XLogP30.84
TPSA111.45 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001731.41
LogP ≤ 530.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine?
The IUPAC name of 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine (CID 165083755) is 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine.
What is the SMILES notation for 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine?
The canonical SMILES for 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine is C=C(c1ccc(/C=C/C(C)C)cc1)N(C)C.CC(C)/C=C/c1ccc(OC2CC2)cc1F.CC(C)/C=C/c1ccc2c(c1)CC=C2.CC(C)/C=C/c1ccc2c(c1)OC(C)(F)O2.CC(C)/C=C/c1ccc2c(c1)OCO2.CC(C)/C=C/c1ccc2ccn(C)c2c1.CC(C)/C=C/c1ccccn1.CC(C)/C=C/c1cnc2c(c1)OCO2.Cc1ccc(/C=C/C(C)C)nc1.
What is the InChIKey of 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine?
The InChIKey is VNYMCVRKDWGDLE-YQDPONKXSA-N. The full InChI is InChI=1S/C15H21N.C14H17FO.C14H17N.C14H16.C13H15FO2.C12H14O2.C11H13NO2.C11H15N.C10H13N/c1-12(2)6-7-14-8-10-15(11-9-14)13(3)16(4)5;1-10(2)3-4-11-5-6-13(9-14(11)15)16-12-7-8-12;1-11(2)4-5-12-6-7-13-8-9-15(3)14(13)10-12;1-11(2)6-7-12-8-9-13-4-3-5-14(13)10-12;1-9(2)4-5-10-6-7-11-12(8-10)16-13(3,14)15-11;1-9(2)3-4-10-5-6-11-12(7-10)14-8-13-11;1-8(2)3-4-9-5-10-11(12-6-9)14-7-13-10;1-9(2)4-6-11-7-5-10(3)8-12-11;1-9(2)6-7-10-5-3-4-8-11-10/h6-12H,3H2,1-2,4-5H3;3-6,9-10,12H,7-8H2,1-2H3;4-11H,1-3H3;3-4,6-11H,5H2,1-2H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3/b7-6+;4-3+;5-4+;7-6+;5-4+;2*4-3+;6-4+;7-6+.
What are the key properties of 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine?
4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine has a molecular weight of 1731.41 g/mol, XLogP of 30.84, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-2-fluoro-1-[(E)-3-methylbut-1-enyl]benzene;N,N-dimethyl-1-[4-[(E)-3-methylbut-1-enyl]phenyl]ethenamine;2-fluoro-2-methyl-5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;5-[(E)-3-methylbut-1-enyl]-1,3-benzodioxole;6-[(E)-3-methylbut-1-enyl]-[1,3]dioxolo[4,5-b]pyridine;6-[(E)-3-methylbut-1-enyl]-1H-indene;2-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-6-[(E)-3-methylbut-1-enyl]indole;5-methyl-2-[(E)-3-methylbut-1-enyl]pyridine is sourced from PubChem (CID 165083755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).