3,3-difluoropentan-1-amine

C5H11F2N — CID 84762152

IUPAC3,3-difluoropentan-1-amine
SMILESCCC(F)(F)CCN
InChIInChI=1S/C5H11F2N/c1-2-5(6,7)3-4-8/h2-4,8H2,1H3
InChIKeyRLXIOYLAADBLTI-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.38
Rot. Bonds3

About 3,3-difluoropentan-1-amine

3,3-difluoropentan-1-amine (PubChem CID 84762152) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is 3,3-difluoropentan-1-amine.

Molecular Properties

Compound Name3,3-difluoropentan-1-amine
PubChem CID84762152
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name3,3-difluoropentan-1-amine
SMILESCCC(F)(F)CCN
InChIInChI=1S/C5H11F2N/c1-2-5(6,7)3-4-8/h2-4,8H2,1H3
InChIKeyRLXIOYLAADBLTI-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoropentan-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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropentan-1-amine?
The IUPAC name of 3,3-difluoropentan-1-amine (CID 84762152) is 3,3-difluoropentan-1-amine.
What is the SMILES notation for 3,3-difluoropentan-1-amine?
The canonical SMILES for 3,3-difluoropentan-1-amine is CCC(F)(F)CCN.
What is the InChIKey of 3,3-difluoropentan-1-amine?
The InChIKey is RLXIOYLAADBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N/c1-2-5(6,7)3-4-8/h2-4,8H2,1H3.
What are the key properties of 3,3-difluoropentan-1-amine?
3,3-difluoropentan-1-amine has a molecular weight of 123.15 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropentan-1-amine is sourced from PubChem (CID 84762152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).