2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide

C10H9ClF3NO — CID 166428369

IUPAC2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
SMILESCC(F)(F)c1ccc(F)c(NC(=O)CCl)c1
InChIInChI=1S/C10H9ClF3NO/c1-10(13,14)6-2-3-7(12)8(4-6)15-9(16)5-11/h2-4H,5H2,1H3,(H,15,16)
InChIKeyRILUQVZBFQLXRZ-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.11
Rot. Bonds3

About 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide

2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide (PubChem CID 166428369) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
PubChem CID166428369
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
SMILESCC(F)(F)c1ccc(F)c(NC(=O)CCl)c1
InChIInChI=1S/C10H9ClF3NO/c1-10(13,14)6-2-3-7(12)8(4-6)15-9(16)5-11/h2-4H,5H2,1H3,(H,15,16)
InChIKeyRILUQVZBFQLXRZ-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide (CID 166428369) is 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide is CC(F)(F)c1ccc(F)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide?
The InChIKey is RILUQVZBFQLXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-10(13,14)6-2-3-7(12)8(4-6)15-9(16)5-11/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide?
2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide has a molecular weight of 251.63 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 166428369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).