4-fluoro-3-propylbenzoic acid

C10H11FO2 — CID 11745258

IUPAC4-fluoro-3-propylbenzoic acid
SMILESCCCc1cc(C(=O)O)ccc1F
InChIInChI=1S/C10H11FO2/c1-2-3-7-6-8(10(12)13)4-5-9(7)11/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyCWGCZLDQVNFBMO-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.48
Rot. Bonds3

About 4-fluoro-3-propylbenzoic acid

4-fluoro-3-propylbenzoic acid (PubChem CID 11745258) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 4-fluoro-3-propylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-3-propylbenzoic acid
PubChem CID11745258
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name4-fluoro-3-propylbenzoic acid
SMILESCCCc1cc(C(=O)O)ccc1F
InChIInChI=1S/C10H11FO2/c1-2-3-7-6-8(10(12)13)4-5-9(7)11/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyCWGCZLDQVNFBMO-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139
4-fluoro-3-(2-methylpropyl)benzoic acid
CID 107957211
3-(ethylsulfinylmethyl)-4-fluorobenzoic acid
CID 107453518
4-fluoro-3-[(3-methylpentan-3-ylamino)methyl]benzoic acid
CID 106330219
3-[(4-ethylpiperazin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067187
3-[(butan-2-ylamino)methyl]-4-fluorobenzoic acid
CID 107452341
3-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-4-fluorobenzoic acid
CID 107452233
4-fluoro-3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzoic acid
CID 63074023
4-fluoro-3-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoic acid
CID 107452224
3-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 63074911
3-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]-4-fluorobenzoic acid
CID 107452238
4-fluoro-3-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzoic acid
CID 82965404

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propylbenzoic acid?
The IUPAC name of 4-fluoro-3-propylbenzoic acid (CID 11745258) is 4-fluoro-3-propylbenzoic acid.
What is the SMILES notation for 4-fluoro-3-propylbenzoic acid?
The canonical SMILES for 4-fluoro-3-propylbenzoic acid is CCCc1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-propylbenzoic acid?
The InChIKey is CWGCZLDQVNFBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-3-7-6-8(10(12)13)4-5-9(7)11/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-fluoro-3-propylbenzoic acid?
4-fluoro-3-propylbenzoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propylbenzoic acid is sourced from PubChem (CID 11745258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).