2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate

C10H8ClF3O2 — CID 91482736

IUPAC2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c11-8-3-1-2-7(6-8)4-5-16-9(15)10(12,13)14/h1-3,6H,4-5H2
InChIKeyYFEXONBKPFKOME-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.99
Rot. Bonds3

About 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate

2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate (PubChem CID 91482736) has the molecular formula C10H8ClF3O2 and a molecular weight of 252.62 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
PubChem CID91482736
Molecular FormulaC10H8ClF3O2
Molecular Weight252.62 g/mol
Exact Mass252.02
IUPAC Name2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c11-8-3-1-2-7(6-8)4-5-16-9(15)10(12,13)14/h1-3,6H,4-5H2
InChIKeyYFEXONBKPFKOME-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)ethyl pentanoate
CID 141256814
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 15113984
3-(3-chlorophenyl)propanoate
CID 6946708
4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
CID 84726327
4-O-[2-(3-chlorophenyl)ethyl] 1-O-heptyl butanedioate
CID 91716065
2-[2-(3-chlorophenyl)ethoxy]ethanamine
CID 94766900
ethyl 4-(3-chlorophenyl)-2,2-difluoro-3-oxobutanoate
CID 55071448
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
2-(3-chlorophenyl)ethylurea
CID 127513466
3-(3-chlorophenyl)propyl 2-methylprop-2-enoate
CID 163407359

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate (CID 91482736) is 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate is O=C(OCCc1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate?
The InChIKey is YFEXONBKPFKOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O2/c11-8-3-1-2-7(6-8)4-5-16-9(15)10(12,13)14/h1-3,6H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate?
2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate has a molecular weight of 252.62 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91482736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).