3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine

C7H11F2N — CID 118941238

IUPAC3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(F)(F)C12CC(N)(C1)C2
InChIInChI=1S/C7H11F2N/c1-5(8,9)6-2-7(10,3-6)4-6/h2-4,10H2,1H3
InChIKeyQOZIKDGKJXQWPQ-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.52
Rot. Bonds1

About 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine

3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 118941238) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine
PubChem CID118941238
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(F)(F)C12CC(N)(C1)C2
InChIInChI=1S/C7H11F2N/c1-5(8,9)6-2-7(10,3-6)4-6/h2-4,10H2,1H3
InChIKeyQOZIKDGKJXQWPQ-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine 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-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
CID 142474680
methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride
CID 146198125
3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine;3-(1-fluoro-2-methylprop-1-enyl)bicyclo[1.1.1]pentan-1-amine;dihydrochloride
CID 159236414
2,2-dimethyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 83681982
3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine
CID 170557209
1-(1,1-difluoroethyl)-3-(5,5-dimethylcyclohexen-1-yl)bicyclo[1.1.1]pentane
CID 155753878
4-(1,1-difluoroethyl)thian-4-amine
CID 84768507
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 86010396
4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 86775403
1,4-ditert-butylbicyclo[2.2.2]octane;1,3-ditert-butylbicyclo[1.1.1]pentane
CID 163948572
3,3,5,5-tetramethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 103961327
(5S,7R)-3-[(2S)-1,1,2,3,3,3-hexafluoropropyl]adamantan-1-amine
CID 2330402

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine (CID 118941238) is 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine is CC(F)(F)C12CC(N)(C1)C2.
What is the InChIKey of 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is QOZIKDGKJXQWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-5(8,9)6-2-7(10,3-6)4-6/h2-4,10H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine?
3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 147.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 118941238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).