2-(3-fluoropropyl)benzoic acid

C10H11FO2 — CID 83856062

IUPAC2-(3-fluoropropyl)benzoic acid
SMILESO=C(O)c1ccccc1CCCF
InChIInChI=1S/C10H11FO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6H,3,5,7H2,(H,12,13)
InChIKeyQAXDZWLSVZEBQA-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.29
Rot. Bonds4

About 2-(3-fluoropropyl)benzoic acid

2-(3-fluoropropyl)benzoic acid (PubChem CID 83856062) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(3-fluoropropyl)benzoic acid.

Molecular Properties

Compound Name2-(3-fluoropropyl)benzoic acid
PubChem CID83856062
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-(3-fluoropropyl)benzoic acid
SMILESO=C(O)c1ccccc1CCCF
InChIInChI=1S/C10H11FO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6H,3,5,7H2,(H,12,13)
InChIKeyQAXDZWLSVZEBQA-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2-butylbenzoic acid
CID 174819524
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
azane;2-octylbenzoic acid
CID 70171834
CID 159889030
CID 159889030
fluorobenzene;2-pentylbenzoic acid
CID 174772828
2-(5-methylhexyl)benzoic acid
CID 122392323
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
2-(6-methylheptyl)benzoic acid
CID 23133407
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
2-(3-amino-3-oxopropyl)benzoic acid
CID 19261660
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)benzoic acid?
The IUPAC name of 2-(3-fluoropropyl)benzoic acid (CID 83856062) is 2-(3-fluoropropyl)benzoic acid.
What is the SMILES notation for 2-(3-fluoropropyl)benzoic acid?
The canonical SMILES for 2-(3-fluoropropyl)benzoic acid is O=C(O)c1ccccc1CCCF.
What is the InChIKey of 2-(3-fluoropropyl)benzoic acid?
The InChIKey is QAXDZWLSVZEBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6H,3,5,7H2,(H,12,13).
What are the key properties of 2-(3-fluoropropyl)benzoic acid?
2-(3-fluoropropyl)benzoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)benzoic acid is sourced from PubChem (CID 83856062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).