3-[2-(difluoromethyl)phenyl]azetidin-3-amine

C10H12F2N2 — CID 166608725

IUPAC3-[2-(difluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccccc2C(F)F)CNC1
InChIInChI=1S/C10H12F2N2/c11-9(12)7-3-1-2-4-8(7)10(13)5-14-6-10/h1-4,9,14H,5-6,13H2
InChIKeyVHCQVVOUFOYEHK-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.38
Rot. Bonds2

About 3-[2-(difluoromethyl)phenyl]azetidin-3-amine

3-[2-(difluoromethyl)phenyl]azetidin-3-amine (PubChem CID 166608725) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)phenyl]azetidin-3-amine.

Molecular Properties

Compound Name3-[2-(difluoromethyl)phenyl]azetidin-3-amine
PubChem CID166608725
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-[2-(difluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccccc2C(F)F)CNC1
InChIInChI=1S/C10H12F2N2/c11-9(12)7-3-1-2-4-8(7)10(13)5-14-6-10/h1-4,9,14H,5-6,13H2
InChIKeyVHCQVVOUFOYEHK-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(difluoromethyl)phenyl]azetidin-3-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-[2-(difluoromethyl)phenyl]azetidin-3-amine?
The IUPAC name of 3-[2-(difluoromethyl)phenyl]azetidin-3-amine (CID 166608725) is 3-[2-(difluoromethyl)phenyl]azetidin-3-amine.
What is the SMILES notation for 3-[2-(difluoromethyl)phenyl]azetidin-3-amine?
The canonical SMILES for 3-[2-(difluoromethyl)phenyl]azetidin-3-amine is NC1(c2ccccc2C(F)F)CNC1.
What is the InChIKey of 3-[2-(difluoromethyl)phenyl]azetidin-3-amine?
The InChIKey is VHCQVVOUFOYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-9(12)7-3-1-2-4-8(7)10(13)5-14-6-10/h1-4,9,14H,5-6,13H2.
What are the key properties of 3-[2-(difluoromethyl)phenyl]azetidin-3-amine?
3-[2-(difluoromethyl)phenyl]azetidin-3-amine has a molecular weight of 198.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)phenyl]azetidin-3-amine is sourced from PubChem (CID 166608725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).