4-(difluoromethyl)azepan-4-ol

C7H13F2NO — CID 103983030

IUPAC4-(difluoromethyl)azepan-4-ol
SMILESOC1(C(F)F)CCCNCC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(11)2-1-4-10-5-3-7/h6,10-11H,1-5H2
InChIKeyFVMPNNCDZNAGNW-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.76
Rot. Bonds1

About 4-(difluoromethyl)azepan-4-ol

4-(difluoromethyl)azepan-4-ol (PubChem CID 103983030) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(difluoromethyl)azepan-4-ol.

Molecular Properties

Compound Name4-(difluoromethyl)azepan-4-ol
PubChem CID103983030
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-(difluoromethyl)azepan-4-ol
SMILESOC1(C(F)F)CCCNCC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(11)2-1-4-10-5-3-7/h6,10-11H,1-5H2
InChIKeyFVMPNNCDZNAGNW-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)azepan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-Methylazepan-4-ol hydrochloride
CID 66653249
4-(Trifluoromethyl)azepan-4-ol hydrochloride
CID 118798394
4-Methylazepan-4-OL
CID 53393484
4-(Trifluoromethyl)azepan-4-ol
CID 55296064
3,3-Difluoroazepane-4,4-diol
CID 118248153
5,5-Difluoro-4-methylazepan-4-ol
CID 176271122
6,6,6-Trifluoro-3-methyl-1-(propylamino)hexan-3-ol
CID 65985300
1-(Ethylamino)-6,6,6-trifluoro-3-methylhexan-3-ol
CID 65987462
3-(2,2,2-Trifluoroethyl)azepan-4-ol
CID 83484906
5-(2,2,2-Trifluoroethyl)azepan-4-ol
CID 83484907
4-(Aminomethyl)-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83918073
4-(2-Aminoethyl)-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83919438

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)azepan-4-ol?
The IUPAC name of 4-(difluoromethyl)azepan-4-ol (CID 103983030) is 4-(difluoromethyl)azepan-4-ol.
What is the SMILES notation for 4-(difluoromethyl)azepan-4-ol?
The canonical SMILES for 4-(difluoromethyl)azepan-4-ol is OC1(C(F)F)CCCNCC1.
What is the InChIKey of 4-(difluoromethyl)azepan-4-ol?
The InChIKey is FVMPNNCDZNAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-6(9)7(11)2-1-4-10-5-3-7/h6,10-11H,1-5H2.
What are the key properties of 4-(difluoromethyl)azepan-4-ol?
4-(difluoromethyl)azepan-4-ol has a molecular weight of 165.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)azepan-4-ol is sourced from PubChem (CID 103983030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).