1-fluoropropyl 2,2,2-trifluoroacetate

C5H6F4O2 — CID 151523530

IUPAC1-fluoropropyl 2,2,2-trifluoroacetate
SMILESCCC(F)OC(=O)C(F)(F)F
InChIInChI=1S/C5H6F4O2/c1-2-3(6)11-4(10)5(7,8)9/h3H,2H2,1H3
InChIKeyPUYSOOZWEYCVTK-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.80
Rot. Bonds2

About 1-fluoropropyl 2,2,2-trifluoroacetate

1-fluoropropyl 2,2,2-trifluoroacetate (PubChem CID 151523530) has the molecular formula C5H6F4O2 and a molecular weight of 174.09 g/mol. Its IUPAC name is 1-fluoropropyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-fluoropropyl 2,2,2-trifluoroacetate
PubChem CID151523530
Molecular FormulaC5H6F4O2
Molecular Weight174.09 g/mol
Exact Mass174.03
IUPAC Name1-fluoropropyl 2,2,2-trifluoroacetate
SMILESCCC(F)OC(=O)C(F)(F)F
InChIInChI=1S/C5H6F4O2/c1-2-3(6)11-4(10)5(7,8)9/h3H,2H2,1H3
InChIKeyPUYSOOZWEYCVTK-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate
CID 14535336
1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
dipropoxymethyl 2,2,2-trifluoroacetate
CID 87157146
pentadecan-3-yl 2,2,2-trifluoroacetate
CID 534406
1-fluoropropyl 3-oxobutanoate
CID 172685853
[(2S)-1-[aminomethyl(methyl)amino]-1-oxobutan-2-yl] 2,2,2-trifluoroacetate
CID 140533196
[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
CID 14535341
1,1,2,2,3-pentafluoropentyl 2,2,2-trifluoroethaneperoxoate
CID 19880908
tridecan-2-yl 2,2,2-trifluoroacetate
CID 536345
(2,2,2-trifluoroacetyl) 2-ethyl-3,3-dimethylbutanoate
CID 174871940
(1-amino-2,2-dimethylpropyl) 2,2,2-trifluoroacetate
CID 87865006
tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium
CID 57090971

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropyl 2,2,2-trifluoroacetate?
The IUPAC name of 1-fluoropropyl 2,2,2-trifluoroacetate (CID 151523530) is 1-fluoropropyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1-fluoropropyl 2,2,2-trifluoroacetate?
The canonical SMILES for 1-fluoropropyl 2,2,2-trifluoroacetate is CCC(F)OC(=O)C(F)(F)F.
What is the InChIKey of 1-fluoropropyl 2,2,2-trifluoroacetate?
The InChIKey is PUYSOOZWEYCVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2/c1-2-3(6)11-4(10)5(7,8)9/h3H,2H2,1H3.
What are the key properties of 1-fluoropropyl 2,2,2-trifluoroacetate?
1-fluoropropyl 2,2,2-trifluoroacetate has a molecular weight of 174.09 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 151523530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).