N-[2-chloro-6-(trifluoromethyl)phenyl]formamide

C8H5ClF3NO — CID 22760760

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14/h1-4H,(H,13,14)
InChIKeyVBZQRSSJQNFUAW-UHFFFAOYSA-N
MW223.58 g/mol
LogP2.93
Rot. Bonds2

About N-[2-chloro-6-(trifluoromethyl)phenyl]formamide

N-[2-chloro-6-(trifluoromethyl)phenyl]formamide (PubChem CID 22760760) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]formamide
PubChem CID22760760
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14/h1-4H,(H,13,14)
InChIKeyVBZQRSSJQNFUAW-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-chloro-6-(trifluoromethyl)phenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide (CID 22760760) is N-[2-chloro-6-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide is O=CNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide?
The InChIKey is VBZQRSSJQNFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14/h1-4H,(H,13,14).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]formamide has a molecular weight of 223.58 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 22760760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).