4-(trifluoromethyl)azepane

C7H12F3N — CID 55296065

IUPAC4-(trifluoromethyl)azepane
SMILESFC(F)(F)C1CCCNCC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)6-2-1-4-11-5-3-6/h6,11H,1-5H2
InChIKeyBMAQMERQLYXYPV-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.94
Rot. Bonds

About 4-(trifluoromethyl)azepane

4-(trifluoromethyl)azepane (PubChem CID 55296065) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)azepane.

Molecular Properties

Compound Name4-(trifluoromethyl)azepane
PubChem CID55296065
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name4-(trifluoromethyl)azepane
SMILESFC(F)(F)C1CCCNCC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)6-2-1-4-11-5-3-6/h6,11H,1-5H2
InChIKeyBMAQMERQLYXYPV-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylazepane
CID 19600416
7,7-Difluoro-3-azabicyclo[4.1.0]heptane hydrochloride
CID 71656098
4,4-Difluoro-5-methylazepane hydrochloride
CID 118798550
7,7-Difluoro-3-azabicyclo[4.1.0]heptane
CID 50989413
(4R)-4-(trifluoromethyl)azepane
CID 95003247
8,8-Difluoro-3-azabicyclo[3.2.1]octane
CID 50989410
(1R,5S)-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 52420841
4,4-Difluoroazepane
CID 53393482
N-(cyclopentylmethyl)-2,2-difluoroethanamine
CID 60922659
3,3-Difluoroazepane
CID 67457127
3-(2,2,2-Trifluoroethyl)piperidine
CID 71757581
8,8-Difluoro-4-azabicyclo[5.1.0]octane
CID 72218506

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)azepane?
The IUPAC name of 4-(trifluoromethyl)azepane (CID 55296065) is 4-(trifluoromethyl)azepane.
What is the SMILES notation for 4-(trifluoromethyl)azepane?
The canonical SMILES for 4-(trifluoromethyl)azepane is FC(F)(F)C1CCCNCC1.
What is the InChIKey of 4-(trifluoromethyl)azepane?
The InChIKey is BMAQMERQLYXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-7(9,10)6-2-1-4-11-5-3-6/h6,11H,1-5H2.
What are the key properties of 4-(trifluoromethyl)azepane?
4-(trifluoromethyl)azepane has a molecular weight of 167.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)azepane is sourced from PubChem (CID 55296065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).