4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide

C10H11F2NO2 — CID 163265766

IUPAC4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide
SMILES[2H]C([2H])([2H])C(O)(c1ccc(F)cc1)C(F)C(N)=O
InChIInChI=1S/C10H11F2NO2/c1-10(15,8(12)9(13)14)6-2-4-7(11)5-3-6/h2-5,8,15H,1H3,(H2,13,14)/i1D3
InChIKeyBPAWMIVBGVQKLN-FIBGUPNXSA-N
MW218.22 g/mol
LogP0.86
Rot. Bonds4

About 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide

4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide (PubChem CID 163265766) has the molecular formula C10H11F2NO2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide.

Molecular Properties

Compound Name4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide
PubChem CID163265766
Molecular FormulaC10H11F2NO2
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide
SMILES[2H]C([2H])([2H])C(O)(c1ccc(F)cc1)C(F)C(N)=O
InChIInChI=1S/C10H11F2NO2/c1-10(15,8(12)9(13)14)6-2-4-7(11)5-3-6/h2-5,8,15H,1H3,(H2,13,14)/i1D3
InChIKeyBPAWMIVBGVQKLN-FIBGUPNXSA-N
XLogP0.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
CID 62398213
2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636369
bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636363
2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
CID 87771670
2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
CID 70123452
2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one
CID 102198852
2-(4-fluorophenyl)propan-2-ol
CID 637733
chloromethane;4-fluorobenzamide
CID 158476805
1,1-bis(4-fluorophenyl)propane-1,2-diol
CID 117062920
2-fluoro-2-(4-fluorophenyl)propanedioic acid
CID 139618704

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide?
The IUPAC name of 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide (CID 163265766) is 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide.
What is the SMILES notation for 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide?
The canonical SMILES for 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide is [2H]C([2H])([2H])C(O)(c1ccc(F)cc1)C(F)C(N)=O.
What is the InChIKey of 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide?
The InChIKey is BPAWMIVBGVQKLN-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-10(15,8(12)9(13)14)6-2-4-7(11)5-3-6/h2-5,8,15H,1H3,(H2,13,14)/i1D3.
What are the key properties of 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide?
4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide has a molecular weight of 218.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide is sourced from PubChem (CID 163265766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).