N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide

C10H9ClF3NO — CID 151425395

IUPACN-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide
SMILESCc1cccc(Cl)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-6-3-2-4-7(11)9(6)15-8(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyPBKGOUCLXFNCJD-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.54
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide

N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide (PubChem CID 151425395) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide
PubChem CID151425395
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide
SMILESCc1cccc(Cl)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-6-3-2-4-7(11)9(6)15-8(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyPBKGOUCLXFNCJD-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide (CID 151425395) is N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide is Cc1cccc(Cl)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide?
The InChIKey is PBKGOUCLXFNCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-6-3-2-4-7(11)9(6)15-8(16)5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide?
N-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropanamide has a molecular weight of 251.63 g/mol, XLogP of 3.54, 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-methylphenyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 151425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).