3-(difluoromethyl)azetidin-3-amine

C4H8F2N2 — CID 105427211

IUPAC3-(difluoromethyl)azetidin-3-amine
SMILESNC1(C(F)F)CNC1
InChIInChI=1S/C4H8F2N2/c5-3(6)4(7)1-8-2-4/h3,8H,1-2,7H2
InChIKeySNKDFFFFDDRBBP-UHFFFAOYSA-N
MW122.12 g/mol
LogP-0.45
Rot. Bonds1

About 3-(difluoromethyl)azetidin-3-amine

3-(difluoromethyl)azetidin-3-amine (PubChem CID 105427211) has the molecular formula C4H8F2N2 and a molecular weight of 122.12 g/mol. Its IUPAC name is 3-(difluoromethyl)azetidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)azetidin-3-amine
PubChem CID105427211
Molecular FormulaC4H8F2N2
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Name3-(difluoromethyl)azetidin-3-amine
SMILESNC1(C(F)F)CNC1
InChIInChI=1S/C4H8F2N2/c5-3(6)4(7)1-8-2-4/h3,8H,1-2,7H2
InChIKeySNKDFFFFDDRBBP-UHFFFAOYSA-N
XLogP-0.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)azetidin-3-amine?
The IUPAC name of 3-(difluoromethyl)azetidin-3-amine (CID 105427211) is 3-(difluoromethyl)azetidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)azetidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)azetidin-3-amine is NC1(C(F)F)CNC1.
What is the InChIKey of 3-(difluoromethyl)azetidin-3-amine?
The InChIKey is SNKDFFFFDDRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2/c5-3(6)4(7)1-8-2-4/h3,8H,1-2,7H2.
What are the key properties of 3-(difluoromethyl)azetidin-3-amine?
3-(difluoromethyl)azetidin-3-amine has a molecular weight of 122.12 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)azetidin-3-amine is sourced from PubChem (CID 105427211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).