[2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate

C10H7F5O2 — CID 154714714

IUPAC[2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate
SMILESO=C(OC(CF)c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H7F5O2/c11-5-8(17-9(16)10(13,14)15)6-1-3-7(12)4-2-6/h1-4,8H,5H2
InChIKeyAIFGBGUKVICZDM-UHFFFAOYSA-N
MW254.15 g/mol
LogP2.94
Rot. Bonds3

About [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate

[2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate (PubChem CID 154714714) has the molecular formula C10H7F5O2 and a molecular weight of 254.15 g/mol. Its IUPAC name is [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate
PubChem CID154714714
Molecular FormulaC10H7F5O2
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name[2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate
SMILESO=C(OC(CF)c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H7F5O2/c11-5-8(17-9(16)10(13,14)15)6-1-3-7(12)4-2-6/h1-4,8H,5H2
InChIKeyAIFGBGUKVICZDM-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-amino-1-(3-fluorophenyl)propyl] 2,2,2-trifluoroacetate
CID 169224463
1-[bis(trifluoromethylsulfonyl)methyl]-4-fluorobenzene
CID 86173511
2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate
CID 69117712
tris(4-fluorophenyl)methyl 2,2,2-trifluoroacetate
CID 71429877
1-[4-(2-methylpropyl)phenyl]ethyl 2,2,2-trifluoroacetate
CID 132580322
[1-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)methylcarbamoyl-methylamino]piperidin-1-yl]ethyl] 2,2,2-trifluoroacetate
CID 175555404
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
methyl 3-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 143068532
ethyl (4S)-2,2-difluoro-4,5-bis(4-fluorophenyl)-5-oxopentanoate
CID 122395328
2-(4-fluorophenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoic acid
CID 21084310
3-(4-fluorophenyl)-2-hydroxy-2-methylbutanoic acid
CID 79303766
[iodo(phenyl)methyl] 2,2,2-trifluoroacetate
CID 69442009

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate (CID 154714714) is [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate is O=C(OC(CF)c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate?
The InChIKey is AIFGBGUKVICZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2/c11-5-8(17-9(16)10(13,14)15)6-1-3-7(12)4-2-6/h1-4,8H,5H2.
What are the key properties of [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate?
[2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate has a molecular weight of 254.15 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-(4-fluorophenyl)ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 154714714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).