(3,3-difluorocyclobutyl)methanamine

C5H9F2N — CID 45480376

IUPAC(3,3-difluorocyclobutyl)methanamine
SMILESNCC1CC(F)(F)C1
InChIInChI=1S/C5H9F2N/c6-5(7)1-4(2-5)3-8/h4H,1-3,8H2
InChIKeyBUVXADKKXYLSTP-UHFFFAOYSA-N
MW121.13 g/mol
LogP0.99
Rot. Bonds1

About (3,3-difluorocyclobutyl)methanamine

(3,3-difluorocyclobutyl)methanamine (PubChem CID 45480376) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)methanamine.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)methanamine
PubChem CID45480376
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name(3,3-difluorocyclobutyl)methanamine
SMILESNCC1CC(F)(F)C1
InChIInChI=1S/C5H9F2N/c6-5(7)1-4(2-5)3-8/h4H,1-3,8H2
InChIKeyBUVXADKKXYLSTP-UHFFFAOYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3,3-difluorocyclobutyl)methanamine 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-difluorocyclobutyl)methanamine?
The IUPAC name of (3,3-difluorocyclobutyl)methanamine (CID 45480376) is (3,3-difluorocyclobutyl)methanamine.
What is the SMILES notation for (3,3-difluorocyclobutyl)methanamine?
The canonical SMILES for (3,3-difluorocyclobutyl)methanamine is NCC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)methanamine?
The InChIKey is BUVXADKKXYLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c6-5(7)1-4(2-5)3-8/h4H,1-3,8H2.
What are the key properties of (3,3-difluorocyclobutyl)methanamine?
(3,3-difluorocyclobutyl)methanamine has a molecular weight of 121.13 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)methanamine is sourced from PubChem (CID 45480376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).