2-fluoro-3-prop-1-enylbenzoic acid

C10H9FO2 — CID 67068425

IUPAC2-fluoro-3-prop-1-enylbenzoic acid
SMILESCC=Cc1cccc(C(=O)O)c1F
InChIInChI=1S/C10H9FO2/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13)
InChIKeyVOYOZYXOBJEQAC-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.56
Rot. Bonds2

About 2-fluoro-3-prop-1-enylbenzoic acid

2-fluoro-3-prop-1-enylbenzoic acid (PubChem CID 67068425) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-fluoro-3-prop-1-enylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-3-prop-1-enylbenzoic acid
PubChem CID67068425
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name2-fluoro-3-prop-1-enylbenzoic acid
SMILESCC=Cc1cccc(C(=O)O)c1F
InChIInChI=1S/C10H9FO2/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13)
InChIKeyVOYOZYXOBJEQAC-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 169479163
3-(4-amino-4-oxobut-1-enyl)-2-fluorobenzoic acid
CID 170798147
2-phenoxy-3-prop-1-enylbenzoic acid
CID 174630451
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
3-carbamoyl-2-fluorobenzoic acid
CID 91004020
3-acetyl-2-fluorobenzoic acid
CID 83410719
2-phenylmethoxy-3-prop-1-enylbenzoic acid
CID 71318162
2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid
CID 138738575
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
4-prop-1-enylnaphthalene-1-carboxylic acid
CID 139748494
3-(3-acetyl-2-fluorophenyl)prop-2-enenitrile
CID 169483703
1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
CID 164913701

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-prop-1-enylbenzoic acid?
The IUPAC name of 2-fluoro-3-prop-1-enylbenzoic acid (CID 67068425) is 2-fluoro-3-prop-1-enylbenzoic acid.
What is the SMILES notation for 2-fluoro-3-prop-1-enylbenzoic acid?
The canonical SMILES for 2-fluoro-3-prop-1-enylbenzoic acid is CC=Cc1cccc(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-3-prop-1-enylbenzoic acid?
The InChIKey is VOYOZYXOBJEQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13).
What are the key properties of 2-fluoro-3-prop-1-enylbenzoic acid?
2-fluoro-3-prop-1-enylbenzoic acid has a molecular weight of 180.18 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-prop-1-enylbenzoic acid is sourced from PubChem (CID 67068425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).