1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid

C11H10F2O3 — CID 117328252

IUPAC1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(C(F)F)c2)CC1
InChIInChI=1S/C11H10F2O3/c12-9(13)7-5-6(1-2-8(7)14)11(3-4-11)10(15)16/h1-2,5,9,14H,3-4H2,(H,15,16)
InChIKeyQIBLRWRIQMSBSZ-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.45
Rot. Bonds3

About 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid

1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid (PubChem CID 117328252) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
PubChem CID117328252
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(C(F)F)c2)CC1
InChIInChI=1S/C11H10F2O3/c12-9(13)7-5-6(1-2-8(7)14)11(3-4-11)10(15)16/h1-2,5,9,14H,3-4H2,(H,15,16)
InChIKeyQIBLRWRIQMSBSZ-UHFFFAOYSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117357152
1-[3-bromo-4-(difluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117469960
2-(difluoromethyl)-4-(1-hydroxycyclopropyl)phenol
CID 117289131
1-[4-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361935
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328253
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]cyclohexane-1-carboxylic acid
CID 117457683
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117404247
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117437895
1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 105485387
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid (CID 117328252) is 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(O)c(C(F)F)c2)CC1.
What is the InChIKey of 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QIBLRWRIQMSBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-9(13)7-5-6(1-2-8(7)14)11(3-4-11)10(15)16/h1-2,5,9,14H,3-4H2,(H,15,16).
What are the key properties of 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid?
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid has a molecular weight of 228.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117328252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).