3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid

C12H11ClF2O3 — CID 62396854

IUPAC3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H11ClF2O3/c13-9-5-3-8(4-6-9)11(18,7-1-2-7)12(14,15)10(16)17/h3-7,18H,1-2H2,(H,16,17)
InChIKeyRTYANGMEXTZOMQ-UHFFFAOYSA-N
MW276.67 g/mol
LogP2.66
Rot. Bonds4

About 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid

3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid (PubChem CID 62396854) has the molecular formula C12H11ClF2O3 and a molecular weight of 276.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
PubChem CID62396854
Molecular FormulaC12H11ClF2O3
Molecular Weight276.67 g/mol
Exact Mass276.04
IUPAC Name3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H11ClF2O3/c13-9-5-3-8(4-6-9)11(18,7-1-2-7)12(14,15)10(16)17/h3-7,18H,1-2H2,(H,16,17)
InChIKeyRTYANGMEXTZOMQ-UHFFFAOYSA-N
XLogP2.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
CID 84738628
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid
CID 63701902
3-(4-tert-butylphenyl)-2,2-difluoro-3-hydroxybutanoic acid
CID 62398242
2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol
CID 61047502
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
2,2-difluoro-3-hydroxy-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 62397044
3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
CID 150243688

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid (CID 62396854) is 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid is O=C(O)C(F)(F)C(O)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid?
The InChIKey is RTYANGMEXTZOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2O3/c13-9-5-3-8(4-6-9)11(18,7-1-2-7)12(14,15)10(16)17/h3-7,18H,1-2H2,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid?
3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid has a molecular weight of 276.67 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 62396854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).