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

C9H9ClF3NO — CID 143654894

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane
SMILESC.O=CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO.CH4/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14;/h1-4H,(H,13,14);1H4
InChIKeyVYHCLBJYBOBSFQ-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.56
Rot. Bonds2

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

N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane (PubChem CID 143654894) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane
PubChem CID143654894
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane
SMILESC.O=CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO.CH4/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14;/h1-4H,(H,13,14);1H4
InChIKeyVYHCLBJYBOBSFQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.56
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;methane 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;methane?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane (CID 143654894) is N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane is C.O=CNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane?
The InChIKey is VYHCLBJYBOBSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO.CH4/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14;/h1-4H,(H,13,14);1H4.
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane?
N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane has a molecular weight of 239.62 g/mol, XLogP of 3.56, 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;methane is sourced from PubChem (CID 143654894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).