3-fluoro-5-propoxybenzoic acid

C10H11FO3 — CID 91636267

IUPAC3-fluoro-5-propoxybenzoic acid
SMILESCCCOc1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyLKMIUTBJTLWDLN-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.31
Rot. Bonds4

About 3-fluoro-5-propoxybenzoic acid

3-fluoro-5-propoxybenzoic acid (PubChem CID 91636267) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-fluoro-5-propoxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-propoxybenzoic acid
PubChem CID91636267
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-fluoro-5-propoxybenzoic acid
SMILESCCCOc1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyLKMIUTBJTLWDLN-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone
CID 91657905
1-(3-fluoro-5-propoxyphenyl)propan-1-one
CID 91655290
3-(5-amino-5-oxopentoxy)-5-fluorobenzoic acid
CID 114281657
5-nonoxybenzene-1,3-dicarboxylic acid
CID 101082617
3-fluoro-5-prop-2-ynoxybenzoic acid
CID 130796858
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
3-butoxy-5-(trifluoromethyl)benzoic acid
CID 118349151
3-[methyl(methylsulfonyl)amino]-5-propoxybenzoic acid
CID 21062060
3-fluoro-5-propoxyaniline
CID 80752315
4-[2-(3-bromo-5-fluorophenoxy)ethoxy]benzoic acid
CID 81313770
5-(3,5-difluorophenoxy)-2,2-dimethylpentanoic acid
CID 65259869

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propoxybenzoic acid?
The IUPAC name of 3-fluoro-5-propoxybenzoic acid (CID 91636267) is 3-fluoro-5-propoxybenzoic acid.
What is the SMILES notation for 3-fluoro-5-propoxybenzoic acid?
The canonical SMILES for 3-fluoro-5-propoxybenzoic acid is CCCOc1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-fluoro-5-propoxybenzoic acid?
The InChIKey is LKMIUTBJTLWDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-5-propoxybenzoic acid?
3-fluoro-5-propoxybenzoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propoxybenzoic acid is sourced from PubChem (CID 91636267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).