5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride

C7H12ClF4NO — CID 118798630

IUPAC5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCNCCC1F
InChIInChI=1S/C7H11F4NO.ClH/c8-5-1-3-12-4-2-6(5,13)7(9,10)11;/h5,12-13H,1-4H2;1H
InChIKeyAMHVLQHXJIKMFA-UHFFFAOYSA-N
MW237.62 g/mol
LogP1.42
Rot. Bonds

About 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride

5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride (PubChem CID 118798630) has the molecular formula C7H12ClF4NO and a molecular weight of 237.62 g/mol. Its IUPAC name is 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride.

Molecular Properties

Compound Name5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride
PubChem CID118798630
Molecular FormulaC7H12ClF4NO
Molecular Weight237.62 g/mol
Exact Mass237.05
IUPAC Name5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCNCCC1F
InChIInChI=1S/C7H11F4NO.ClH/c8-5-1-3-12-4-2-6(5,13)7(9,10)11;/h5,12-13H,1-4H2;1H
InChIKeyAMHVLQHXJIKMFA-UHFFFAOYSA-N
XLogP1.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.62
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride?
The IUPAC name of 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride (CID 118798630) is 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride.
What is the SMILES notation for 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride?
The canonical SMILES for 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride is Cl.OC1(C(F)(F)F)CCNCCC1F.
What is the InChIKey of 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride?
The InChIKey is AMHVLQHXJIKMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO.ClH/c8-5-1-3-12-4-2-6(5,13)7(9,10)11;/h5,12-13H,1-4H2;1H.
What are the key properties of 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride?
5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride has a molecular weight of 237.62 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride is sourced from PubChem (CID 118798630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).