2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene

C61H69F6NO6 — CID 144688881

IUPAC2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene
SMILESC=Cc1ccc(-c2cc(OC)ccc2F)c(C(OC)C(F)(F)F)c1.C=Cc1ccc(-c2cc(OC)ccc2F)c(C(OC)C2CC2)c1.C=Cc1ccc(-c2cc(OC)ncc2F)c(C(OC)C2CC2)c1.CC.CC
InChIInChI=1S/C20H21FO2.C19H20FNO2.C18H16F4O2.2C2H6/c1-4-13-5-9-16(17-12-15(22-2)8-10-19(17)21)18(11-13)20(23-3)14-6-7-14;1-4-12-5-8-14(15-10-18(22-2)21-11-17(15)20)16(9-12)19(23-3)13-6-7-13;1-4-11-5-7-13(14-10-12(23-2)6-8-16(14)19)15(9-11)17(24-3)18(20,21)22;2*1-2/h4-5,8-12,14,20H,1,6-7H2,2-3H3;4-5,8-11,13,19H,1,6-7H2,2-3H3;4-10,17H,1H2,2-3H3;2*1-2H3
InChIKeyFWOPZIBNEHSDDD-UHFFFAOYSA-N
MW1026.21 g/mol
LogP17.33
Rot. Bonds17

About 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene

2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene (PubChem CID 144688881) has the molecular formula C61H69F6NO6 and a molecular weight of 1026.21 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene
PubChem CID144688881
Molecular FormulaC61H69F6NO6
Molecular Weight1026.21 g/mol
Exact Mass1025.50
IUPAC Name2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene
SMILESC=Cc1ccc(-c2cc(OC)ccc2F)c(C(OC)C(F)(F)F)c1.C=Cc1ccc(-c2cc(OC)ccc2F)c(C(OC)C2CC2)c1.C=Cc1ccc(-c2cc(OC)ncc2F)c(C(OC)C2CC2)c1.CC.CC
InChIInChI=1S/C20H21FO2.C19H20FNO2.C18H16F4O2.2C2H6/c1-4-13-5-9-16(17-12-15(22-2)8-10-19(17)21)18(11-13)20(23-3)14-6-7-14;1-4-12-5-8-14(15-10-18(22-2)21-11-17(15)20)16(9-12)19(23-3)13-6-7-13;1-4-11-5-7-13(14-10-12(23-2)6-8-16(14)19)15(9-11)17(24-3)18(20,21)22;2*1-2/h4-5,8-12,14,20H,1,6-7H2,2-3H3;4-5,8-11,13,19H,1,6-7H2,2-3H3;4-10,17H,1H2,2-3H3;2*1-2H3
InChIKeyFWOPZIBNEHSDDD-UHFFFAOYSA-N
XLogP17.33
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.21
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene with MolForge

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Related Compounds

3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569
4-(Methoxymethyl)-3-(6-methoxynaphthalen-2-yl)pyridine
CID 25034492
4-[4-(1,2,3,6-Tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride
CID 44527385
3-(1-Fluoro-7-methoxynaphthalen-2-yl)pyridine
CID 71817944
US11485708, Compd ID 1.013
CID 155426185
3-[3-[(3-Methoxyphenyl)methyl]naphthalen-2-yl]pyridine
CID 25129118
3-[7-Methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
CID 25129121
3-[6-(4-Fluorophenyl)-2-methoxynaphthalen-1-yl]pyridine
CID 44446303
3-[5-(4-Fluorophenyl)-6-methoxynaphthalen-2-yl]pyridine
CID 44446311
3-[3-(6-Methoxynaphthalen-2-yl)phenyl]pyridine
CID 44446312

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene (CID 144688881) is 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene is C=Cc1ccc(-c2cc(OC)ccc2F)c(C(OC)C(F)(F)F)c1.C=Cc1ccc(-c2cc(OC)ccc2F)c(C(OC)C2CC2)c1.C=Cc1ccc(-c2cc(OC)ncc2F)c(C(OC)C2CC2)c1.CC.CC.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene?
The InChIKey is FWOPZIBNEHSDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO2.C19H20FNO2.C18H16F4O2.2C2H6/c1-4-13-5-9-16(17-12-15(22-2)8-10-19(17)21)18(11-13)20(23-3)14-6-7-14;1-4-12-5-8-14(15-10-18(22-2)21-11-17(15)20)16(9-12)19(23-3)13-6-7-13;1-4-11-5-7-13(14-10-12(23-2)6-8-16(14)19)15(9-11)17(24-3)18(20,21)22;2*1-2/h4-5,8-12,14,20H,1,6-7H2,2-3H3;4-5,8-11,13,19H,1,6-7H2,2-3H3;4-10,17H,1H2,2-3H3;2*1-2H3.
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene?
2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene has a molecular weight of 1026.21 g/mol, XLogP of 17.33, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene is sourced from PubChem (CID 144688881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).