4-fluoro-4-(3-methylphenyl)azepane

C13H18FN — CID 103984030

IUPAC4-fluoro-4-(3-methylphenyl)azepane
SMILESCc1cccc(C2(F)CCCNCC2)c1
InChIInChI=1S/C13H18FN/c1-11-4-2-5-12(10-11)13(14)6-3-8-15-9-7-13/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyGBJCUCUXASILRS-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.93
Rot. Bonds1

About 4-fluoro-4-(3-methylphenyl)azepane

4-fluoro-4-(3-methylphenyl)azepane (PubChem CID 103984030) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-fluoro-4-(3-methylphenyl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(3-methylphenyl)azepane
PubChem CID103984030
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-fluoro-4-(3-methylphenyl)azepane
SMILESCc1cccc(C2(F)CCCNCC2)c1
InChIInChI=1S/C13H18FN/c1-11-4-2-5-12(10-11)13(14)6-3-8-15-9-7-13/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyGBJCUCUXASILRS-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-(3-propylphenyl)azepane
CID 116546577
4-(3-cyclobutylphenyl)-4-fluoroazepane
CID 114607413
4-fluoro-4-(4-phenylphenyl)azepane
CID 103983972
4-fluoro-4-(4-propan-2-ylphenyl)azepane
CID 113361786
1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine
CID 84727421
1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone
CID 105477579
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
1-[1-(3-methylphenyl)cyclohexyl]piperazine
CID 82300802
4-fluoro-4-(5-methylthiophen-2-yl)azepane
CID 103983843
2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine
CID 115058613
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-methylphenyl)azepane?
The IUPAC name of 4-fluoro-4-(3-methylphenyl)azepane (CID 103984030) is 4-fluoro-4-(3-methylphenyl)azepane.
What is the SMILES notation for 4-fluoro-4-(3-methylphenyl)azepane?
The canonical SMILES for 4-fluoro-4-(3-methylphenyl)azepane is Cc1cccc(C2(F)CCCNCC2)c1.
What is the InChIKey of 4-fluoro-4-(3-methylphenyl)azepane?
The InChIKey is GBJCUCUXASILRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-11-4-2-5-12(10-11)13(14)6-3-8-15-9-7-13/h2,4-5,10,15H,3,6-9H2,1H3.
What are the key properties of 4-fluoro-4-(3-methylphenyl)azepane?
4-fluoro-4-(3-methylphenyl)azepane has a molecular weight of 207.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-methylphenyl)azepane is sourced from PubChem (CID 103984030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).