3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid

C10H7ClF2O2 — CID 121209337

IUPAC3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15)
InChIKeyHKOSNDJFLFJRPX-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid

3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid (PubChem CID 121209337) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
PubChem CID121209337
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15)
InChIKeyHKOSNDJFLFJRPX-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid (CID 121209337) is 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid is O=C(O)C1C(c2ccc(Cl)cc2)C1(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The InChIKey is HKOSNDJFLFJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15).
What are the key properties of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid has a molecular weight of 232.61 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 121209337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).