7,7-difluorobicyclo[2.2.1]heptan-2-amine

C7H11F2N — CID 71758529

IUPAC7,7-difluorobicyclo[2.2.1]heptan-2-amine
SMILESNC1CC2CCC1C2(F)F
InChIInChI=1S/C7H11F2N/c8-7(9)4-1-2-5(7)6(10)3-4/h4-6H,1-3,10H2
InChIKeyREKSYJSTVJQYJN-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.38
Rot. Bonds

About 7,7-difluorobicyclo[2.2.1]heptan-2-amine

7,7-difluorobicyclo[2.2.1]heptan-2-amine (PubChem CID 71758529) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 7,7-difluorobicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name7,7-difluorobicyclo[2.2.1]heptan-2-amine
PubChem CID71758529
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name7,7-difluorobicyclo[2.2.1]heptan-2-amine
SMILESNC1CC2CCC1C2(F)F
InChIInChI=1S/C7H11F2N/c8-7(9)4-1-2-5(7)6(10)3-4/h4-6H,1-3,10H2
InChIKeyREKSYJSTVJQYJN-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7,7-difluorobicyclo[2.2.1]heptan-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

Frequently Asked Questions

What is the IUPAC name of 7,7-difluorobicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 7,7-difluorobicyclo[2.2.1]heptan-2-amine (CID 71758529) is 7,7-difluorobicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 7,7-difluorobicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 7,7-difluorobicyclo[2.2.1]heptan-2-amine is NC1CC2CCC1C2(F)F.
What is the InChIKey of 7,7-difluorobicyclo[2.2.1]heptan-2-amine?
The InChIKey is REKSYJSTVJQYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)4-1-2-5(7)6(10)3-4/h4-6H,1-3,10H2.
What are the key properties of 7,7-difluorobicyclo[2.2.1]heptan-2-amine?
7,7-difluorobicyclo[2.2.1]heptan-2-amine has a molecular weight of 147.17 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorobicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 71758529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).