2,2-difluorocyclohexan-1-amine;formic acid

C7H13F2NO2 — CID 126843056

IUPAC2,2-difluorocyclohexan-1-amine;formic acid
SMILESNC1CCCCC1(F)F.O=CO
InChIInChI=1S/C6H11F2N.CH2O2/c7-6(8)4-2-1-3-5(6)9;2-1-3/h5H,1-4,9H2;1H,(H,2,3)
InChIKeySSBLOLSYTKKNIH-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.22
Rot. Bonds

About 2,2-difluorocyclohexan-1-amine;formic acid

2,2-difluorocyclohexan-1-amine;formic acid (PubChem CID 126843056) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluorocyclohexan-1-amine;formic acid.

Molecular Properties

Compound Name2,2-difluorocyclohexan-1-amine;formic acid
PubChem CID126843056
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluorocyclohexan-1-amine;formic acid
SMILESNC1CCCCC1(F)F.O=CO
InChIInChI=1S/C6H11F2N.CH2O2/c7-6(8)4-2-1-3-5(6)9;2-1-3/h5H,1-4,9H2;1H,(H,2,3)
InChIKeySSBLOLSYTKKNIH-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-difluorocyclohexan-1-amine;formic acid 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

ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
(2,2-difluorocyclohexyl)urea
CID 131126356
N-[(2,2-difluorocyclopentyl)methyl]formamide
CID 130921420
cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 95241025
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 170384462
trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 174265747
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799
(8S)-spiro[2.5]octan-8-amine
CID 89147381
spiro[5.6]dodecan-12-amine
CID 15021866

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclohexan-1-amine;formic acid?
The IUPAC name of 2,2-difluorocyclohexan-1-amine;formic acid (CID 126843056) is 2,2-difluorocyclohexan-1-amine;formic acid.
What is the SMILES notation for 2,2-difluorocyclohexan-1-amine;formic acid?
The canonical SMILES for 2,2-difluorocyclohexan-1-amine;formic acid is NC1CCCCC1(F)F.O=CO.
What is the InChIKey of 2,2-difluorocyclohexan-1-amine;formic acid?
The InChIKey is SSBLOLSYTKKNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.CH2O2/c7-6(8)4-2-1-3-5(6)9;2-1-3/h5H,1-4,9H2;1H,(H,2,3).
What are the key properties of 2,2-difluorocyclohexan-1-amine;formic acid?
2,2-difluorocyclohexan-1-amine;formic acid has a molecular weight of 181.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclohexan-1-amine;formic acid is sourced from PubChem (CID 126843056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).