4-fluoro-4-(4-phenylphenyl)azepane

C18H20FN — CID 103983972

IUPAC4-fluoro-4-(4-phenylphenyl)azepane
SMILESFC1(c2ccc(-c3ccccc3)cc2)CCCNCC1
InChIInChI=1S/C18H20FN/c19-18(11-4-13-20-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2
InChIKeyLGEUGLBVQBATMK-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.29
Rot. Bonds2

About 4-fluoro-4-(4-phenylphenyl)azepane

4-fluoro-4-(4-phenylphenyl)azepane (PubChem CID 103983972) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-fluoro-4-(4-phenylphenyl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(4-phenylphenyl)azepane
PubChem CID103983972
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name4-fluoro-4-(4-phenylphenyl)azepane
SMILESFC1(c2ccc(-c3ccccc3)cc2)CCCNCC1
InChIInChI=1S/C18H20FN/c19-18(11-4-13-20-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2
InChIKeyLGEUGLBVQBATMK-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-phenylphenyl)azepan-4-ol
CID 103982949
4-fluoro-4-(4-propan-2-ylphenyl)azepane
CID 113361786
3-fluoro-3-(4-phenylphenyl)azetidine
CID 112563501
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826
(1-fluorocyclopentyl)benzene
CID 67593041
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
4-(4-cyclobutylphenyl)-4-fluoropiperidine
CID 116507136
4-(3-cyclobutylphenyl)-4-fluoroazepane
CID 114607413
4-fluoro-4-(3-propylphenyl)azepane
CID 116546577
4-methyl-4-phenylazepane
CID 89410025
2-[4-(4-fluoropiperidin-4-yl)phenyl]ethanamine
CID 84725143
5-(4-fluoroazepan-4-yl)-1,2-thiazole
CID 130856979

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-phenylphenyl)azepane?
The IUPAC name of 4-fluoro-4-(4-phenylphenyl)azepane (CID 103983972) is 4-fluoro-4-(4-phenylphenyl)azepane.
What is the SMILES notation for 4-fluoro-4-(4-phenylphenyl)azepane?
The canonical SMILES for 4-fluoro-4-(4-phenylphenyl)azepane is FC1(c2ccc(-c3ccccc3)cc2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(4-phenylphenyl)azepane?
The InChIKey is LGEUGLBVQBATMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c19-18(11-4-13-20-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2.
What are the key properties of 4-fluoro-4-(4-phenylphenyl)azepane?
4-fluoro-4-(4-phenylphenyl)azepane has a molecular weight of 269.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-phenylphenyl)azepane is sourced from PubChem (CID 103983972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).