propyl 2-(3-chlorophenyl)-2-fluoroacetate

C11H12ClFO2 — CID 74325018

IUPACpropyl 2-(3-chlorophenyl)-2-fluoroacetate
SMILESCCCOC(=O)C(F)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClFO2/c1-2-6-15-11(14)10(13)8-4-3-5-9(12)7-8/h3-5,7,10H,2,6H2,1H3
InChIKeyDZTFRCRBAQYDTH-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.30
Rot. Bonds4

About propyl 2-(3-chlorophenyl)-2-fluoroacetate

propyl 2-(3-chlorophenyl)-2-fluoroacetate (PubChem CID 74325018) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is propyl 2-(3-chlorophenyl)-2-fluoroacetate.

Molecular Properties

Compound Namepropyl 2-(3-chlorophenyl)-2-fluoroacetate
PubChem CID74325018
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Namepropyl 2-(3-chlorophenyl)-2-fluoroacetate
SMILESCCCOC(=O)C(F)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClFO2/c1-2-6-15-11(14)10(13)8-4-3-5-9(12)7-8/h3-5,7,10H,2,6H2,1H3
InChIKeyDZTFRCRBAQYDTH-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate
CID 171246110
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171246111
methyl 2-[(S)-(3-chlorophenyl)-fluoromethyl]prop-2-enoate
CID 125474605
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
(3-chlorophenyl) propyl carbonate
CID 91713194
ethyl (2S)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86312949
ethyl (2R)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86309605
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
propyl N-(3-chlorophenyl)-N-methylcarbamate
CID 174449903
3-(3-chlorophenyl)butanoic acid
CID 71683749
2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-chlorophenyl)-2-fluoroacetate?
The IUPAC name of propyl 2-(3-chlorophenyl)-2-fluoroacetate (CID 74325018) is propyl 2-(3-chlorophenyl)-2-fluoroacetate.
What is the SMILES notation for propyl 2-(3-chlorophenyl)-2-fluoroacetate?
The canonical SMILES for propyl 2-(3-chlorophenyl)-2-fluoroacetate is CCCOC(=O)C(F)c1cccc(Cl)c1.
What is the InChIKey of propyl 2-(3-chlorophenyl)-2-fluoroacetate?
The InChIKey is DZTFRCRBAQYDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-2-6-15-11(14)10(13)8-4-3-5-9(12)7-8/h3-5,7,10H,2,6H2,1H3.
What are the key properties of propyl 2-(3-chlorophenyl)-2-fluoroacetate?
propyl 2-(3-chlorophenyl)-2-fluoroacetate has a molecular weight of 230.67 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-chlorophenyl)-2-fluoroacetate is sourced from PubChem (CID 74325018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).