1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine

C29H32FN — CID 144940225

IUPAC1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine
SMILESCC.CCc1ccc(-c2ccncc2)cc1.FCc1ccccc1Cc1ccccc1
InChIInChI=1S/C14H13F.C13H13N.C2H6/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12;1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;1-2/h1-9H,10-11H2;3-10H,2H2,1H3;1-2H3
InChIKeyVUCHZXARQLSJQZ-UHFFFAOYSA-N
MW413.58 g/mol
LogP8.08
Rot. Bonds5

About 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine

1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine (PubChem CID 144940225) has the molecular formula C29H32FN and a molecular weight of 413.58 g/mol. Its IUPAC name is 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine.

Molecular Properties

Compound Name1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine
PubChem CID144940225
Molecular FormulaC29H32FN
Molecular Weight413.58 g/mol
Exact Mass413.25
IUPAC Name1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine
SMILESCC.CCc1ccc(-c2ccncc2)cc1.FCc1ccccc1Cc1ccccc1
InChIInChI=1S/C14H13F.C13H13N.C2H6/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12;1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;1-2/h1-9H,10-11H2;3-10H,2H2,1H3;1-2H3
InChIKeyVUCHZXARQLSJQZ-UHFFFAOYSA-N
XLogP8.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.58
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-benzylphenyl)pyridine
CID 174553937
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
1-benzyl-4-ethylbenzene;methane
CID 144571765
ethane;4-ethylpyridine
CID 142005045
ethane;ethylbenzene
CID 90887003
ethane;ethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,4-xylene
CID 159108053
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
1-benzyl-2,4-diethylbenzene
CID 139691839
3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline
CID 144815999

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine?
The IUPAC name of 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine (CID 144940225) is 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine.
What is the SMILES notation for 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine?
The canonical SMILES for 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine is CC.CCc1ccc(-c2ccncc2)cc1.FCc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine?
The InChIKey is VUCHZXARQLSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F.C13H13N.C2H6/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12;1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;1-2/h1-9H,10-11H2;3-10H,2H2,1H3;1-2H3.
What are the key properties of 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine?
1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine has a molecular weight of 413.58 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine is sourced from PubChem (CID 144940225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).