(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide

C9H8F3NO2 — CID 163265678

IUPAC(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide
SMILESNC(=O)C(F)(F)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H8F3NO2/c10-6-3-1-5(2-4-6)7(14)9(11,12)8(13)15/h1-4,7,14H,(H2,13,15)/t7-/m1/s1
InChIKeyYMHWSRSCQBOXRN-SSDOTTSWSA-N
MW219.16 g/mol
LogP0.98
Rot. Bonds3

About (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide

(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide (PubChem CID 163265678) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide
PubChem CID163265678
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide
SMILESNC(=O)C(F)(F)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H8F3NO2/c10-6-3-1-5(2-4-6)7(14)9(11,12)8(13)15/h1-4,7,14H,(H2,13,15)/t7-/m1/s1
InChIKeyYMHWSRSCQBOXRN-SSDOTTSWSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619
2-fluoro-1-(4-fluorophenyl)-2-methylpropan-1-ol
CID 130561742
3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid
CID 166652474
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide
CID 15942070
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
CID 163672048
2-(4-fluorophenyl)butanediamide
CID 69053213

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide?
The IUPAC name of (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide (CID 163265678) is (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide?
The canonical SMILES for (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide is NC(=O)C(F)(F)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide?
The InChIKey is YMHWSRSCQBOXRN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-6-3-1-5(2-4-6)7(14)9(11,12)8(13)15/h1-4,7,14H,(H2,13,15)/t7-/m1/s1.
What are the key properties of (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide?
(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide has a molecular weight of 219.16 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 163265678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).