N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide

C11H11ClF3NO — CID 135065920

IUPACN-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyCCSHFEDNJJHSIU-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.95
Rot. Bonds3

About N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide

N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 135065920) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID135065920
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyCCSHFEDNJJHSIU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-((4-Chlorophenyl)methyl)acetamide
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N-[3-(3-chlorophenyl)propyl]butanamide
CID 10490188
N-[3-(3-chlorophenyl)propyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide (CID 135065920) is N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide is CC(=O)NC(Cc1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is CCSHFEDNJJHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,16,17).
What are the key properties of N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 265.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 135065920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).