2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide

C11H12F3NO2 — CID 100764025

IUPAC2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESCC(F)(F)C(=O)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H12F3NO2/c1-11(13,14)10(17)15-6-9(16)7-2-4-8(12)5-3-7/h2-5,9,16H,6H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeySHHPDDNQUKLGRZ-VIFPVBQESA-N
MW247.22 g/mol
LogP1.63
Rot. Bonds4

About 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide

2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide (PubChem CID 100764025) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
PubChem CID100764025
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESCC(F)(F)C(=O)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H12F3NO2/c1-11(13,14)10(17)15-6-9(16)7-2-4-8(12)5-3-7/h2-5,9,16H,6H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeySHHPDDNQUKLGRZ-VIFPVBQESA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
CID 109478476
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111482920
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 18442214
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 107335113
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
methyl 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanoate
CID 111109844
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
CID 87016886
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide (CID 100764025) is 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide is CC(F)(F)C(=O)NC[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The InChIKey is SHHPDDNQUKLGRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-11(13,14)10(17)15-6-9(16)7-2-4-8(12)5-3-7/h2-5,9,16H,6H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide has a molecular weight of 247.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 100764025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).