N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine

C10H17F2N — CID 130712762

IUPACN-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(F)(F)CNC1CC2CCC1C2
InChIInChI=1S/C10H17F2N/c1-10(11,12)6-13-9-5-7-2-3-8(9)4-7/h7-9,13H,2-6H2,1H3
InChIKeyVCEKMFDEKCWNGY-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.42
Rot. Bonds3

About N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine

N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 130712762) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID130712762
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(F)(F)CNC1CC2CCC1C2
InChIInChI=1S/C10H17F2N/c1-10(11,12)6-13-9-5-7-2-3-8(9)4-7/h7-9,13H,2-6H2,1H3
InChIKeyVCEKMFDEKCWNGY-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 2846292
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate
CID 103894982
1-(2-bicyclo[2.2.1]heptanylamino)-3-methylbutan-2-ol
CID 115886357
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-fluorobicyclo[2.2.1]heptan-2-amine
CID 123516667
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 21444290
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine (CID 130712762) is N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine is CC(F)(F)CNC1CC2CCC1C2.
What is the InChIKey of N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is VCEKMFDEKCWNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-10(11,12)6-13-9-5-7-2-3-8(9)4-7/h7-9,13H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine?
N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 189.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 130712762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).