3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane

C84H117F17N8O2S — CID 159321340

IUPAC3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane
SMILESC.C.C.C.C.C.C.CN(C)c1cccc(CC=C(F)CN)c1.COc1cccc(CC=C(F)CN)c1.CSc1cccc(CC=C(F)CN)c1.NCC(F)=CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.NCC(F)=CCc1cccc(F)c1.NCC(F)=CCc1cccc(OC(F)(F)F)c1.NCC(F)=CCc1ccccc1
InChIInChI=1S/C12H10F7N.C12H17FN2.C11H11F4NO.C11H14FNO.C11H14FNS.C10H11F2N.C10H12FN.7CH4/c13-10(6-20)2-1-7-3-8(11(14,15)16)5-9(4-7)12(17,18)19;1-15(2)12-5-3-4-10(8-12)6-7-11(13)9-14;12-9(7-16)5-4-8-2-1-3-10(6-8)17-11(13,14)15;2*1-14-11-4-2-3-9(7-11)5-6-10(12)8-13;11-9-3-1-2-8(6-9)4-5-10(12)7-13;11-10(8-12)7-6-9-4-2-1-3-5-9;;;;;;;/h2-5H,1,6,20H2;3-5,7-8H,6,9,14H2,1-2H3;1-3,5-6H,4,7,16H2;2*2-4,6-7H,5,8,13H2,1H3;1-3,5-6H,4,7,13H2;1-5,7H,6,8,12H2;7*1H4
InChIKeyLDUOTHKISWLBPK-UHFFFAOYSA-N
MW1625.95 g/mol
LogP22.61
Rot. Bonds25

About 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane

3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane (PubChem CID 159321340) has the molecular formula C84H117F17N8O2S and a molecular weight of 1625.95 g/mol. Its IUPAC name is 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane.

Molecular Properties

Compound Name3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane
PubChem CID159321340
Molecular FormulaC84H117F17N8O2S
Molecular Weight1625.95 g/mol
Exact Mass1624.87
IUPAC Name3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane
SMILESC.C.C.C.C.C.C.CN(C)c1cccc(CC=C(F)CN)c1.COc1cccc(CC=C(F)CN)c1.CSc1cccc(CC=C(F)CN)c1.NCC(F)=CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.NCC(F)=CCc1cccc(F)c1.NCC(F)=CCc1cccc(OC(F)(F)F)c1.NCC(F)=CCc1ccccc1
InChIInChI=1S/C12H10F7N.C12H17FN2.C11H11F4NO.C11H14FNO.C11H14FNS.C10H11F2N.C10H12FN.7CH4/c13-10(6-20)2-1-7-3-8(11(14,15)16)5-9(4-7)12(17,18)19;1-15(2)12-5-3-4-10(8-12)6-7-11(13)9-14;12-9(7-16)5-4-8-2-1-3-10(6-8)17-11(13,14)15;2*1-14-11-4-2-3-9(7-11)5-6-10(12)8-13;11-9-3-1-2-8(6-9)4-5-10(12)7-13;11-10(8-12)7-6-9-4-2-1-3-5-9;;;;;;;/h2-5H,1,6,20H2;3-5,7-8H,6,9,14H2,1-2H3;1-3,5-6H,4,7,16H2;2*2-4,6-7H,5,8,13H2,1H3;1-3,5-6H,4,7,13H2;1-5,7H,6,8,12H2;7*1H4
InChIKeyLDUOTHKISWLBPK-UHFFFAOYSA-N
XLogP22.61
TPSA203.84 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001625.95
LogP ≤ 522.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983257
3-[(E)-4-amino-3-fluorobut-2-enyl]-N,N-dimethylaniline;hydrochloride
CID 66982993
(Z)-2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983256
(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine
CID 25013451
(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
CID 66983008
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
CID 66983268
(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
CID 66983045
2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
CID 66982486
3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 59192639
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane?
The IUPAC name of 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane (CID 159321340) is 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane.
What is the SMILES notation for 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane?
The canonical SMILES for 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane is C.C.C.C.C.C.C.CN(C)c1cccc(CC=C(F)CN)c1.COc1cccc(CC=C(F)CN)c1.CSc1cccc(CC=C(F)CN)c1.NCC(F)=CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.NCC(F)=CCc1cccc(F)c1.NCC(F)=CCc1cccc(OC(F)(F)F)c1.NCC(F)=CCc1ccccc1.
What is the InChIKey of 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane?
The InChIKey is LDUOTHKISWLBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7N.C12H17FN2.C11H11F4NO.C11H14FNO.C11H14FNS.C10H11F2N.C10H12FN.7CH4/c13-10(6-20)2-1-7-3-8(11(14,15)16)5-9(4-7)12(17,18)19;1-15(2)12-5-3-4-10(8-12)6-7-11(13)9-14;12-9(7-16)5-4-8-2-1-3-10(6-8)17-11(13,14)15;2*1-14-11-4-2-3-9(7-11)5-6-10(12)8-13;11-9-3-1-2-8(6-9)4-5-10(12)7-13;11-10(8-12)7-6-9-4-2-1-3-5-9;;;;;;;/h2-5H,1,6,20H2;3-5,7-8H,6,9,14H2,1-2H3;1-3,5-6H,4,7,16H2;2*2-4,6-7H,5,8,13H2,1H3;1-3,5-6H,4,7,13H2;1-5,7H,6,8,12H2;7*1H4.
What are the key properties of 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane?
3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane has a molecular weight of 1625.95 g/mol, XLogP of 22.61, 25 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorobut-2-enyl)-N,N-dimethylaniline;4-[3,5-bis(trifluoromethyl)phenyl]-2-fluorobut-2-en-1-amine;2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine;2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;2-fluoro-4-(3-methylsulfanylphenyl)but-2-en-1-amine;2-fluoro-4-phenylbut-2-en-1-amine;2-fluoro-4-[3-(trifluoromethoxy)phenyl]but-2-en-1-amine;methane is sourced from PubChem (CID 159321340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).