1-fluoroethyl 4-hydroxybenzoate

C9H9FO3 — CID 175530732

IUPAC1-fluoroethyl 4-hydroxybenzoate
SMILESCC(F)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H9FO3/c1-6(10)13-9(12)7-2-4-8(11)5-3-7/h2-6,11H,1H3
InChIKeyPUWFMDQYRYUWCB-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.86
Rot. Bonds2

About 1-fluoroethyl 4-hydroxybenzoate

1-fluoroethyl 4-hydroxybenzoate (PubChem CID 175530732) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 1-fluoroethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name1-fluoroethyl 4-hydroxybenzoate
PubChem CID175530732
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name1-fluoroethyl 4-hydroxybenzoate
SMILESCC(F)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H9FO3/c1-6(10)13-9(12)7-2-4-8(11)5-3-7/h2-6,11H,1H3
InChIKeyPUWFMDQYRYUWCB-UHFFFAOYSA-N
XLogP1.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluoroethyl 4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585
[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133591
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 70155942
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 7777198
1-hydroxybutan-2-yl 4-hydroxybenzoate
CID 175013058
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 18091239
[2-ethoxy-1-(4-hydroxybenzoyl)oxyethyl] 4-hydroxybenzoate
CID 89282458
4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-hydroxybenzoate
CID 58195694
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-yl 4-hydroxybenzoate
CID 139711374

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl 4-hydroxybenzoate?
The IUPAC name of 1-fluoroethyl 4-hydroxybenzoate (CID 175530732) is 1-fluoroethyl 4-hydroxybenzoate.
What is the SMILES notation for 1-fluoroethyl 4-hydroxybenzoate?
The canonical SMILES for 1-fluoroethyl 4-hydroxybenzoate is CC(F)OC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-fluoroethyl 4-hydroxybenzoate?
The InChIKey is PUWFMDQYRYUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-6(10)13-9(12)7-2-4-8(11)5-3-7/h2-6,11H,1H3.
What are the key properties of 1-fluoroethyl 4-hydroxybenzoate?
1-fluoroethyl 4-hydroxybenzoate has a molecular weight of 184.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl 4-hydroxybenzoate is sourced from PubChem (CID 175530732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).