3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol

C7H12BrF2NO — CID 107140270

IUPAC3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(C(F)(F)Br)C1
InChIInChI=1S/C7H12BrF2NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2
InChIKeyCUFYOFYEKJOWEO-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.61
Rot. Bonds1

About 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol

3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol (PubChem CID 107140270) has the molecular formula C7H12BrF2NO and a molecular weight of 244.08 g/mol. Its IUPAC name is 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
PubChem CID107140270
Molecular FormulaC7H12BrF2NO
Molecular Weight244.08 g/mol
Exact Mass243.01
IUPAC Name3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(C(F)(F)Br)C1
InChIInChI=1S/C7H12BrF2NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2
InChIKeyCUFYOFYEKJOWEO-UHFFFAOYSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-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

3-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 50989727
3-[bromo(difluoro)methyl]-3-fluorocyclohexan-1-amine
CID 107140639
1-[bromo(difluoro)methyl]cyclobutan-1-ol
CID 107140237
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol
CID 107140415
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
3-aminocyclohexane-1,1-dicarboxylic acid
CID 139939403
cis-(1R,3R)-3-amino-1-ethynylcyclohexan-1-ol
CID 124512654
trans-(1R,3S)-3-amino-1-ethynylcyclohexan-1-ol
CID 124512652
cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 139444270
3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol
CID 80562436
3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287648

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol (CID 107140270) is 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol is NC1CCCC(O)(C(F)(F)Br)C1.
What is the InChIKey of 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol?
The InChIKey is CUFYOFYEKJOWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2.
What are the key properties of 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol?
3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol has a molecular weight of 244.08 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107140270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).