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

C11H11ClF3NO — CID 134966993

IUPACN-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyAIMYDMYOSBMTCB-JTQLQIEISA-N
MW265.66 g/mol
LogP2.95
Rot. Bonds3

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

N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 134966993) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID134966993
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyAIMYDMYOSBMTCB-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide (CID 134966993) is N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is AIMYDMYOSBMTCB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide?
N-[(2S)-3-(2-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-[(2S)-3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 134966993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).