3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine

C10H17F2N — CID 103516898

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
SMILESNC(CC1CC2CCC1C2)C(F)F
InChIInChI=1S/C10H17F2N/c11-10(12)9(13)5-8-4-6-1-2-7(8)3-6/h6-10H,1-5,13H2
InChIKeyBKXSNAVDMDEJFJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.41
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine

3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine (PubChem CID 103516898) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
PubChem CID103516898
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
SMILESNC(CC1CC2CCC1C2)C(F)F
InChIInChI=1S/C10H17F2N/c11-10(12)9(13)5-8-4-6-1-2-7(8)3-6/h6-10H,1-5,13H2
InChIKeyBKXSNAVDMDEJFJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-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

1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
CID 112562649
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
CID 104987755
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine (CID 103516898) is 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine is NC(CC1CC2CCC1C2)C(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine?
The InChIKey is BKXSNAVDMDEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)9(13)5-8-4-6-1-2-7(8)3-6/h6-10H,1-5,13H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine?
3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine has a molecular weight of 189.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103516898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).