2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid

C14H11FO3 — CID 54775886

IUPAC2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C14H11FO3/c15-9-3-1-2-8(6-9)12-4-5-13(18-12)10-7-11(10)14(16)17/h1-6,10-11H,7H2,(H,16,17)
InChIKeyQAXZGUCNLAOYQZ-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.27
Rot. Bonds3

About 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid

2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 54775886) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID54775886
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C14H11FO3/c15-9-3-1-2-8(6-9)12-4-5-13(18-12)10-7-11(10)14(16)17/h1-6,10-11H,7H2,(H,16,17)
InChIKeyQAXZGUCNLAOYQZ-UHFFFAOYSA-N
XLogP3.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid (CID 54775886) is 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is QAXZGUCNLAOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-9-3-1-2-8(6-9)12-4-5-13(18-12)10-7-11(10)14(16)17/h1-6,10-11H,7H2,(H,16,17).
What are the key properties of 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid?
2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54775886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).