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

C7H13ClF3NO — CID 118798394

IUPAC4-(trifluoromethyl)azepan-4-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCCNCC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)2-1-4-11-5-3-6;/h11-12H,1-5H2;1H
InChIKeyLQZVRWLXSOJGBA-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.48
Rot. Bonds

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

4-(trifluoromethyl)azepan-4-ol;hydrochloride (PubChem CID 118798394) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 4-(trifluoromethyl)azepan-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)azepan-4-ol;hydrochloride
PubChem CID118798394
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name4-(trifluoromethyl)azepan-4-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCCNCC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)2-1-4-11-5-3-6;/h11-12H,1-5H2;1H
InChIKeyLQZVRWLXSOJGBA-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)azepan-4-ol;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)azepan-4-ol;hydrochloride (CID 118798394) is 4-(trifluoromethyl)azepan-4-ol;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)azepan-4-ol;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)azepan-4-ol;hydrochloride is Cl.OC1(C(F)(F)F)CCCNCC1.
What is the InChIKey of 4-(trifluoromethyl)azepan-4-ol;hydrochloride?
The InChIKey is LQZVRWLXSOJGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)2-1-4-11-5-3-6;/h11-12H,1-5H2;1H.
What are the key properties of 4-(trifluoromethyl)azepan-4-ol;hydrochloride?
4-(trifluoromethyl)azepan-4-ol;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)azepan-4-ol;hydrochloride is sourced from PubChem (CID 118798394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).