1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid

C11H10F2O3 — CID 117328253

IUPAC1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(C(F)F)ccc2O)CC1
InChIInChI=1S/C11H10F2O3/c12-9(13)6-1-2-8(14)7(5-6)11(3-4-11)10(15)16/h1-2,5,9,14H,3-4H2,(H,15,16)
InChIKeyZTMMPRTWCXDJJH-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.45
Rot. Bonds3

About 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid

1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid (PubChem CID 117328253) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid
PubChem CID117328253
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(C(F)F)ccc2O)CC1
InChIInChI=1S/C11H10F2O3/c12-9(13)6-1-2-8(14)7(5-6)11(3-4-11)10(15)16/h1-2,5,9,14H,3-4H2,(H,15,16)
InChIKeyZTMMPRTWCXDJJH-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]cyclopropane-1-carboxylic acid
CID 117328252
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
CID 117322078
4-(difluoromethyl)-2-(1-isocyanatocyclopropyl)phenol
CID 117322713
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid
CID 117348410
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117357152
1-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117437881
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117340569
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117328262

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid (CID 117328253) is 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(C(F)F)ccc2O)CC1.
What is the InChIKey of 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZTMMPRTWCXDJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-9(13)6-1-2-8(14)7(5-6)11(3-4-11)10(15)16/h1-2,5,9,14H,3-4H2,(H,15,16).
What are the key properties of 1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid?
1-[5-(difluoromethyl)-2-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-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117328253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).