1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine

C9H10F3N3 — CID 10465922

IUPAC1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine
SMILESNC1CN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)6-1-2-14-8(3-6)15-4-7(13)5-15/h1-3,7H,4-5,13H2
InChIKeyLDHZTKVFHPXVAY-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.25
Rot. Bonds1

About 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine

1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine (PubChem CID 10465922) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine
PubChem CID10465922
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine
SMILESNC1CN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)6-1-2-14-8(3-6)15-4-7(13)5-15/h1-3,7H,4-5,13H2
InChIKeyLDHZTKVFHPXVAY-UHFFFAOYSA-N
XLogP1.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine (CID 10465922) is 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine is NC1CN(c2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
The InChIKey is LDHZTKVFHPXVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)6-1-2-14-8(3-6)15-4-7(13)5-15/h1-3,7H,4-5,13H2.
What are the key properties of 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine has a molecular weight of 217.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 10465922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).