methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate

C15H12ClFO2 — CID 165389116

IUPACmethyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
SMILESCOC(=O)C(F)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-19-14(18)15(17,11-6-3-2-4-7-11)12-8-5-9-13(16)10-12/h2-10H,1H3
InChIKeyLHWCMSRTMMOBON-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.73
Rot. Bonds3

About methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate

methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate (PubChem CID 165389116) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
PubChem CID165389116
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Namemethyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
SMILESCOC(=O)C(F)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-19-14(18)15(17,11-6-3-2-4-7-11)12-8-5-9-13(16)10-12/h2-10H,1H3
InChIKeyLHWCMSRTMMOBON-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone
CID 167455502
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
1-chloro-3-tritylbenzene
CID 14737306
methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
CID 134916444
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
methyl (2S)-2,3,3,3-tetrafluoro-2-(4-phenylphenyl)propanoate
CID 98040440
methyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-methylpropanoate
CID 106523315
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1-tert-butyl-3-chlorobenzene;methyl formate
CID 156883526

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate?
The IUPAC name of methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate (CID 165389116) is methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate.
What is the SMILES notation for methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate?
The canonical SMILES for methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate is COC(=O)C(F)(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate?
The InChIKey is LHWCMSRTMMOBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-19-14(18)15(17,11-6-3-2-4-7-11)12-8-5-9-13(16)10-12/h2-10H,1H3.
What are the key properties of methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate?
methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate has a molecular weight of 278.71 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate is sourced from PubChem (CID 165389116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).