3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid

C13H14F2O3 — CID 117393605

IUPAC3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESO=C(O)CC(c1ccc(C(F)F)cc1O)C1CC1
InChIInChI=1S/C13H14F2O3/c14-13(15)8-3-4-9(11(16)5-8)10(6-12(17)18)7-1-2-7/h3-5,7,10,13,16H,1-2,6H2,(H,17,18)
InChIKeyMKRPNMDHAQKEEY-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.30
Rot. Bonds5

About 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid

3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid (PubChem CID 117393605) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
PubChem CID117393605
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESO=C(O)CC(c1ccc(C(F)F)cc1O)C1CC1
InChIInChI=1S/C13H14F2O3/c14-13(15)8-3-4-9(11(16)5-8)10(6-12(17)18)7-1-2-7/h3-5,7,10,13,16H,1-2,6H2,(H,17,18)
InChIKeyMKRPNMDHAQKEEY-UHFFFAOYSA-N
XLogP3.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662
3-cyclopropyl-3-(2-hydroxy-4-methylsulfonylphenyl)propanoic acid
CID 117457799
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117437908
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
2-(2-carboxy-1-cyclopropylethyl)-5-fluorobenzoic acid
CID 117383305
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-[2-(dimethylamino)-5-propan-2-ylphenyl]propanoic acid
CID 117107854

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid (CID 117393605) is 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid is O=C(O)CC(c1ccc(C(F)F)cc1O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The InChIKey is MKRPNMDHAQKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c14-13(15)8-3-4-9(11(16)5-8)10(6-12(17)18)7-1-2-7/h3-5,7,10,13,16H,1-2,6H2,(H,17,18).
What are the key properties of 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid has a molecular weight of 256.25 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 117393605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).