2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid

C14H12F2O3 — CID 62398445

IUPAC2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
SMILESCC(O)(c1ccc2ccccc2c1)C(F)(F)C(=O)O
InChIInChI=1S/C14H12F2O3/c1-13(19,14(15,16)12(17)18)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,19H,1H3,(H,17,18)
InChIKeyQDJXDMFSNSJXLR-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.77
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid

2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid (PubChem CID 62398445) has the molecular formula C14H12F2O3 and a molecular weight of 266.24 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
PubChem CID62398445
Molecular FormulaC14H12F2O3
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
SMILESCC(O)(c1ccc2ccccc2c1)C(F)(F)C(=O)O
InChIInChI=1S/C14H12F2O3/c1-13(19,14(15,16)12(17)18)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,19H,1H3,(H,17,18)
InChIKeyQDJXDMFSNSJXLR-UHFFFAOYSA-N
XLogP2.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-2,2-difluoro-3-hydroxybutanoic acid
CID 62398242
2,2-difluoro-3-hydroxy-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 62397044
2-fluoro-2-naphthalen-2-ylpropanamide
CID 91088349
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
trinaphthalen-2-ylmethanol
CID 10573628
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
CID 116536006
2,2-difluoro-2-naphthalen-2-yl-N-phenylacetamide
CID 102584722

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid (CID 62398445) is 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid is CC(O)(c1ccc2ccccc2c1)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid?
The InChIKey is QDJXDMFSNSJXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O3/c1-13(19,14(15,16)12(17)18)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,19H,1H3,(H,17,18).
What are the key properties of 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid?
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid has a molecular weight of 266.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid is sourced from PubChem (CID 62398445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).