3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine

C9H15F2N — CID 142474680

IUPAC3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(C)C(F)(F)C12CC(N)(C1)C2
InChIInChI=1S/C9H15F2N/c1-6(2)9(10,11)7-3-8(12,4-7)5-7/h6H,3-5,12H2,1-2H3
InChIKeySROIWWLKOIMPNX-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.16
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine

3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 142474680) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
PubChem CID142474680
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(C)C(F)(F)C12CC(N)(C1)C2
InChIInChI=1S/C9H15F2N/c1-6(2)9(10,11)7-3-8(12,4-7)5-7/h6H,3-5,12H2,1-2H3
InChIKeySROIWWLKOIMPNX-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine
CID 118941238
3-(1-amino-2,2,2-trifluoroethyl)bicyclo[1.1.1]pentan-1-amine
CID 170557209
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 86010396
(5S,7R)-3-[(2S)-1,1,2,3,3,3-hexafluoropropyl]adamantan-1-amine
CID 2330402
2,2-dimethyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 83681982
methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride
CID 146198125
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 86775403
2-(1,1-difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane
CID 71056986
1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol
CID 134373245
3,3,5,5-tetramethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 103961327

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine (CID 142474680) is 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine is CC(C)C(F)(F)C12CC(N)(C1)C2.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is SROIWWLKOIMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6(2)9(10,11)7-3-8(12,4-7)5-7/h6H,3-5,12H2,1-2H3.
What are the key properties of 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropyl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 142474680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).