2-(2-fluorocyclopropyl)benzoic acid

C10H9FO2 — CID 115015568

IUPAC2-(2-fluorocyclopropyl)benzoic acid
SMILESO=C(O)c1ccccc1C1CC1F
InChIInChI=1S/C10H9FO2/c11-9-5-8(9)6-3-1-2-4-7(6)10(12)13/h1-4,8-9H,5H2,(H,12,13)
InChIKeyKNUUKVKPEQQGSE-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-fluorocyclopropyl)benzoic acid

2-(2-fluorocyclopropyl)benzoic acid (PubChem CID 115015568) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-(2-fluorocyclopropyl)benzoic acid.

Molecular Properties

Compound Name2-(2-fluorocyclopropyl)benzoic acid
PubChem CID115015568
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name2-(2-fluorocyclopropyl)benzoic acid
SMILESO=C(O)c1ccccc1C1CC1F
InChIInChI=1S/C10H9FO2/c11-9-5-8(9)6-3-1-2-4-7(6)10(12)13/h1-4,8-9H,5H2,(H,12,13)
InChIKeyKNUUKVKPEQQGSE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorocyclopropyl)benzoic acid?
The IUPAC name of 2-(2-fluorocyclopropyl)benzoic acid (CID 115015568) is 2-(2-fluorocyclopropyl)benzoic acid.
What is the SMILES notation for 2-(2-fluorocyclopropyl)benzoic acid?
The canonical SMILES for 2-(2-fluorocyclopropyl)benzoic acid is O=C(O)c1ccccc1C1CC1F.
What is the InChIKey of 2-(2-fluorocyclopropyl)benzoic acid?
The InChIKey is KNUUKVKPEQQGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-9-5-8(9)6-3-1-2-4-7(6)10(12)13/h1-4,8-9H,5H2,(H,12,13).
What are the key properties of 2-(2-fluorocyclopropyl)benzoic acid?
2-(2-fluorocyclopropyl)benzoic acid has a molecular weight of 180.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclopropyl)benzoic acid is sourced from PubChem (CID 115015568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).