2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide

C13H21F3N2O — CID 116675798

IUPAC2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(C(=O)NC1CCC(C(F)(F)F)CC1)C1CNC1
InChIInChI=1S/C13H21F3N2O/c1-8(9-6-17-7-9)12(19)18-11-4-2-10(3-5-11)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyNHVSEDFZKQTTIX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.08
Rot. Bonds3

About 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide

2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 116675798) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID116675798
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(C(=O)NC1CCC(C(F)(F)F)CC1)C1CNC1
InChIInChI=1S/C13H21F3N2O/c1-8(9-6-17-7-9)12(19)18-11-4-2-10(3-5-11)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyNHVSEDFZKQTTIX-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide (CID 116675798) is 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide is CC(C(=O)NC1CCC(C(F)(F)F)CC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is NHVSEDFZKQTTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-8(9-6-17-7-9)12(19)18-11-4-2-10(3-5-11)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 278.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 116675798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).