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

C15H11F3O3 — CID 54775913

IUPAC2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)9-3-1-2-8(6-9)12-4-5-13(21-12)10-7-11(10)14(19)20/h1-6,10-11H,7H2,(H,19,20)
InChIKeyKZPJTWXWGFANBO-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.15
Rot. Bonds3

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

2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 54775913) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID54775913
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)9-3-1-2-8(6-9)12-4-5-13(21-12)10-7-11(10)14(19)20/h1-6,10-11H,7H2,(H,19,20)
InChIKeyKZPJTWXWGFANBO-UHFFFAOYSA-N
XLogP4.15
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid (CID 54775913) is 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is KZPJTWXWGFANBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)9-3-1-2-8(6-9)12-4-5-13(21-12)10-7-11(10)14(19)20/h1-6,10-11H,7H2,(H,19,20).
What are the key properties of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid?
2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 296.24 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54775913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).