1,2,2-trifluoroethyl propanoate

C5H7F3O2 — CID 18413632

IUPAC1,2,2-trifluoroethyl propanoate
SMILESCCC(=O)OC(F)C(F)F
InChIInChI=1S/C5H7F3O2/c1-2-3(9)10-5(8)4(6)7/h4-5H,2H2,1H3
InChIKeyYZQALFIYPWAQIW-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.50
Rot. Bonds3

About 1,2,2-trifluoroethyl propanoate

1,2,2-trifluoroethyl propanoate (PubChem CID 18413632) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 1,2,2-trifluoroethyl propanoate.

Molecular Properties

Compound Name1,2,2-trifluoroethyl propanoate
PubChem CID18413632
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name1,2,2-trifluoroethyl propanoate
SMILESCCC(=O)OC(F)C(F)F
InChIInChI=1S/C5H7F3O2/c1-2-3(9)10-5(8)4(6)7/h4-5H,2H2,1H3
InChIKeyYZQALFIYPWAQIW-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propanoyloxybutan-2-yl propanoate
CID 14494224
propan-2-one;propan-2-yl propanoate
CID 161266557
2,4-dimethylpentan-3-yl propanoate;methane
CID 167541618
propanoyl (113C)propanoate
CID 91179573
1-acetyloxypropyl propanoate
CID 141272286
bis(1,2,2-trifluoroethyl) but-2-enedioate
CID 173346620
(Z)-but-2-enedioic acid;1-hydroxypropyl propanoate
CID 135314437
[(2R)-1,1,1-trichloropropan-2-yl] propanoate
CID 6933249
butan-2-yl propanoate;sulfur dioxide
CID 159892772
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
1-propanoyloxyethanesulfonic acid
CID 173197571
[(2R,3S,4S,5S)-1,2,5,6-tetrahydroxy-4-propanoyloxyhexan-3-yl] propanoate
CID 102116279

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethyl propanoate?
The IUPAC name of 1,2,2-trifluoroethyl propanoate (CID 18413632) is 1,2,2-trifluoroethyl propanoate.
What is the SMILES notation for 1,2,2-trifluoroethyl propanoate?
The canonical SMILES for 1,2,2-trifluoroethyl propanoate is CCC(=O)OC(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethyl propanoate?
The InChIKey is YZQALFIYPWAQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-2-3(9)10-5(8)4(6)7/h4-5H,2H2,1H3.
What are the key properties of 1,2,2-trifluoroethyl propanoate?
1,2,2-trifluoroethyl propanoate has a molecular weight of 156.10 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethyl propanoate is sourced from PubChem (CID 18413632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).