2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate

C10H8F4O2 — CID 69117712

IUPAC2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H8F4O2/c11-8-3-1-7(2-4-8)5-6-16-9(15)10(12,13)14/h1-4H,5-6H2
InChIKeyXBLNSQJJDJOVQF-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate

2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate (PubChem CID 69117712) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate
PubChem CID69117712
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H8F4O2/c11-8-3-1-7(2-4-8)5-6-16-9(15)10(12,13)14/h1-4H,5-6H2
InChIKeyXBLNSQJJDJOVQF-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91711360
2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91482736
2-(4-chlorophenyl)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91715952
2-(4-aminophenoxy)ethyl 2,2,2-trifluoroacetate
CID 84816936
5-O-[2-(4-fluorophenyl)ethyl] 1-O-heptadecyl pentanedioate
CID 91711478
(4-fluorophenyl)methyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672754
methyl 4-(4-fluorophenyl)-2-hydroxybutanoate
CID 67031210
tris(4-fluorophenyl)methyl 2,2,2-trifluoroacetate
CID 71429877
(4-fluorophenyl)methyl 2,2-bis(trifluoromethyl)but-3-enoate
CID 71672799
2-hydroxyethyl 2,2,2-trifluoroacetate;silver
CID 174706252
[2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate
CID 154714714
4,4-difluoro-5-(4-fluorophenyl)pentanamide
CID 67372008

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate (CID 69117712) is 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate is O=C(OCCc1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate?
The InChIKey is XBLNSQJJDJOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c11-8-3-1-7(2-4-8)5-6-16-9(15)10(12,13)14/h1-4H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate?
2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate has a molecular weight of 236.16 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 69117712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).