XUJXWOQYTVZAFE-UHFFFAOYSA-N

Name: XUJXWOQYTVZAFE-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₂F₅NO — CID 143468788

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide

SMILESCN(Cc1cc(F)cc(F)c1)C(=O)C1(C(F)(F)F)CC1

InChIInChI=1S/C13H12F5NO/c1-19(7-8-4-9(14)6-10(15)5-8)11(20)12(2-3-12)13(16,17)18/h4-6H,2-3,7H2,1H3

InChIKeyXUJXWOQYTVZAFE-UHFFFAOYSA-N

MW293.24 g/mol

LogP3.27

Rot. Bonds3

About XUJXWOQYTVZAFE-UHFFFAOYSA-N

XUJXWOQYTVZAFE-UHFFFAOYSA-N (PubChem CID 143468788) has the molecular formula C₁₃H₁₂F₅NO and a molecular weight of 293.24 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	XUJXWOQYTVZAFE-UHFFFAOYSA-N
PubChem CID	143468788
Molecular Formula	C₁₃H₁₂F₅NO
Molecular Weight	293.24 g/mol
Exact Mass	293.08
IUPAC Name	N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILES	CN(Cc1cc(F)cc(F)c1)C(=O)C1(C(F)(F)F)CC1
InChI	InChI=1S/C13H12F5NO/c1-19(7-8-4-9(14)6-10(15)5-8)11(20)12(2-3-12)13(16,17)18/h4-6H,2-3,7H2,1H3
InChIKey	XUJXWOQYTVZAFE-UHFFFAOYSA-N
XLogP	3.27
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.24
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of XUJXWOQYTVZAFE-UHFFFAOYSA-N?

The IUPAC name of XUJXWOQYTVZAFE-UHFFFAOYSA-N (CID 143468788) is N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for XUJXWOQYTVZAFE-UHFFFAOYSA-N?

The canonical SMILES for XUJXWOQYTVZAFE-UHFFFAOYSA-N is CN(Cc1cc(F)cc(F)c1)C(=O)C1(C(F)(F)F)CC1.

What is the InChIKey of XUJXWOQYTVZAFE-UHFFFAOYSA-N?

The InChIKey is XUJXWOQYTVZAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO/c1-19(7-8-4-9(14)6-10(15)5-8)11(20)12(2-3-12)13(16,17)18/h4-6H,2-3,7H2,1H3.

What are the key properties of XUJXWOQYTVZAFE-UHFFFAOYSA-N?

XUJXWOQYTVZAFE-UHFFFAOYSA-N has a molecular weight of 293.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for XUJXWOQYTVZAFE-UHFFFAOYSA-N is sourced from PubChem (CID 143468788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 143468788 — identifiers, structure, computed properties (public domain)

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