3-(trifluoromethyl)azetidin-3-amine

C4H7F3N2 — CID 50989638

IUPAC3-(trifluoromethyl)azetidin-3-amine
SMILESNC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H7F3N2/c5-4(6,7)3(8)1-9-2-3/h9H,1-2,8H2
InChIKeyKAJYBNYFCRXKCI-UHFFFAOYSA-N
MW140.11 g/mol
LogP-0.15
Rot. Bonds

About 3-(trifluoromethyl)azetidin-3-amine

3-(trifluoromethyl)azetidin-3-amine (PubChem CID 50989638) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)azetidin-3-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)azetidin-3-amine
PubChem CID50989638
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Name3-(trifluoromethyl)azetidin-3-amine
SMILESNC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H7F3N2/c5-4(6,7)3(8)1-9-2-3/h9H,1-2,8H2
InChIKeyKAJYBNYFCRXKCI-UHFFFAOYSA-N
XLogP-0.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)azetidin-3-amine?
The IUPAC name of 3-(trifluoromethyl)azetidin-3-amine (CID 50989638) is 3-(trifluoromethyl)azetidin-3-amine.
What is the SMILES notation for 3-(trifluoromethyl)azetidin-3-amine?
The canonical SMILES for 3-(trifluoromethyl)azetidin-3-amine is NC1(C(F)(F)F)CNC1.
What is the InChIKey of 3-(trifluoromethyl)azetidin-3-amine?
The InChIKey is KAJYBNYFCRXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2/c5-4(6,7)3(8)1-9-2-3/h9H,1-2,8H2.
What are the key properties of 3-(trifluoromethyl)azetidin-3-amine?
3-(trifluoromethyl)azetidin-3-amine has a molecular weight of 140.11 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)azetidin-3-amine is sourced from PubChem (CID 50989638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).