1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one

C7H9F3O2 — CID 62963522

IUPAC1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
SMILESO=C(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5H,1-4H2
InChIKeyGRWOSHPJAUJTNE-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.69
Rot. Bonds2

About 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one

1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one (PubChem CID 62963522) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
PubChem CID62963522
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
SMILESO=C(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5H,1-4H2
InChIKeyGRWOSHPJAUJTNE-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
(2R)-2-(2-fluoroprop-2-enyl)oxolane
CID 163469182
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
2-(oxolan-2-ylmethyl)prop-2-en-1-ol
CID 117266681
4-methoxy-1-(oxolan-2-yl)butan-2-one
CID 62620585
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 166002219
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2,2,2-trichloroethyl 2-(oxolan-2-yl)acetate
CID 54427849

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one (CID 62963522) is 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one is O=C(CC1CCCO1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one?
The InChIKey is GRWOSHPJAUJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5H,1-4H2.
What are the key properties of 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one?
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one has a molecular weight of 182.14 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one is sourced from PubChem (CID 62963522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).