2-cyclopropyl-5-fluorobenzoic acid

C10H9FO2 — CID 62490498

IUPAC2-cyclopropyl-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1C1CC1
InChIInChI=1S/C10H9FO2/c11-7-3-4-8(6-1-2-6)9(5-7)10(12)13/h3-6H,1-2H2,(H,12,13)
InChIKeyDKHIZIMQCGMRNO-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.40
Rot. Bonds2

About 2-cyclopropyl-5-fluorobenzoic acid

2-cyclopropyl-5-fluorobenzoic acid (PubChem CID 62490498) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-fluorobenzoic acid
PubChem CID62490498
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name2-cyclopropyl-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1C1CC1
InChIInChI=1S/C10H9FO2/c11-7-3-4-8(6-1-2-6)9(5-7)10(12)13/h3-6H,1-2H2,(H,12,13)
InChIKeyDKHIZIMQCGMRNO-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-carboxy-4-cyclopropyl-5-(4-fluorophenyl)phenolate
CID 131746407
2-cyclopropyl-5-cyclopropylsulfonylbenzoic acid
CID 176888626
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261
CID 149008622
CID 149008622
2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
CID 131869097
5-cyano-2-cyclobutylbenzoic acid
CID 118469335
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
2-acetyl-5-fluorobenzoic acid
CID 117279010
ethyl 2-cyclopropyl-4-fluorobenzoate
CID 150607366
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944
4-(bromomethyl)-5-cyclopropyl-2-fluorobenzoic acid
CID 118353727
4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
CID 171115826

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-fluorobenzoic acid?
The IUPAC name of 2-cyclopropyl-5-fluorobenzoic acid (CID 62490498) is 2-cyclopropyl-5-fluorobenzoic acid.
What is the SMILES notation for 2-cyclopropyl-5-fluorobenzoic acid?
The canonical SMILES for 2-cyclopropyl-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-fluorobenzoic acid?
The InChIKey is DKHIZIMQCGMRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-7-3-4-8(6-1-2-6)9(5-7)10(12)13/h3-6H,1-2H2,(H,12,13).
What are the key properties of 2-cyclopropyl-5-fluorobenzoic acid?
2-cyclopropyl-5-fluorobenzoic acid has a molecular weight of 180.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluorobenzoic acid is sourced from PubChem (CID 62490498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).