ethyl 4-fluorobenzoate;hydrochloride

C9H10ClFO2 — CID 175130638

IUPACethyl 4-fluorobenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C9H9FO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2H2,1H3;1H
InChIKeyYCWPRUQCXPXNAK-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.42
Rot. Bonds2

About ethyl 4-fluorobenzoate;hydrochloride

ethyl 4-fluorobenzoate;hydrochloride (PubChem CID 175130638) has the molecular formula C9H10ClFO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is ethyl 4-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-fluorobenzoate;hydrochloride
PubChem CID175130638
Molecular FormulaC9H10ClFO2
Molecular Weight204.63 g/mol
Exact Mass204.04
IUPAC Nameethyl 4-fluorobenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C9H9FO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2H2,1H3;1H
InChIKeyYCWPRUQCXPXNAK-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-[(4-fluorophenyl)sulfanylmethyl]benzoate
CID 126180258
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(2,2-difluoroacetyl)benzoate
CID 11333639
ethyl 1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxylate chloride
CID 82018166
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-difluoroboranylbenzoate
CID 59157456
[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2115637

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluorobenzoate;hydrochloride?
The IUPAC name of ethyl 4-fluorobenzoate;hydrochloride (CID 175130638) is ethyl 4-fluorobenzoate;hydrochloride.
What is the SMILES notation for ethyl 4-fluorobenzoate;hydrochloride?
The canonical SMILES for ethyl 4-fluorobenzoate;hydrochloride is CCOC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of ethyl 4-fluorobenzoate;hydrochloride?
The InChIKey is YCWPRUQCXPXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2H2,1H3;1H.
What are the key properties of ethyl 4-fluorobenzoate;hydrochloride?
ethyl 4-fluorobenzoate;hydrochloride has a molecular weight of 204.63 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluorobenzoate;hydrochloride is sourced from PubChem (CID 175130638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).