N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide

C11H11ClF3NO2 — CID 146470142

IUPACN-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C11H11ClF3NO2/c12-7-3-1-6(2-4-7)9(17)8(5-13)16-11(18)10(14)15/h1-4,8-10,17H,5H2,(H,16,18)/t8-,9-/m1/s1
InChIKeyPERHGYSZEGGJQL-RKDXNWHRSA-N
MW281.66 g/mol
LogP2.09
Rot. Bonds5

About N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide

N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (PubChem CID 146470142) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
PubChem CID146470142
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC NameN-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C11H11ClF3NO2/c12-7-3-1-6(2-4-7)9(17)8(5-13)16-11(18)10(14)15/h1-4,8-10,17H,5H2,(H,16,18)/t8-,9-/m1/s1
InChIKeyPERHGYSZEGGJQL-RKDXNWHRSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (CID 146470142) is N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide is O=C(N[C@H](CF)[C@H](O)c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The InChIKey is PERHGYSZEGGJQL-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-7-3-1-6(2-4-7)9(17)8(5-13)16-11(18)10(14)15/h1-4,8-10,17H,5H2,(H,16,18)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide has a molecular weight of 281.66 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-chlorophenyl)-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 146470142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).