5-methylidene-3-(trifluoromethyl)oxolan-2-one

C6H5F3O2 — CID 15724418

IUPAC5-methylidene-3-(trifluoromethyl)oxolan-2-one
SMILESC=C1CC(C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H5F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h4H,1-2H2
InChIKeyCWEWOFFYBYOCET-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.63
Rot. Bonds

About 5-methylidene-3-(trifluoromethyl)oxolan-2-one

5-methylidene-3-(trifluoromethyl)oxolan-2-one (PubChem CID 15724418) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-methylidene-3-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name5-methylidene-3-(trifluoromethyl)oxolan-2-one
PubChem CID15724418
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name5-methylidene-3-(trifluoromethyl)oxolan-2-one
SMILESC=C1CC(C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H5F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h4H,1-2H2
InChIKeyCWEWOFFYBYOCET-UHFFFAOYSA-N
XLogP1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylidene-2-oxooxolane-3-carboxylic acid
CID 102363919
5-methylidene-3-prop-2-enyloxolan-2-one
CID 59050416
(3S)-3-(trifluoromethyl)oxan-2-one
CID 146165160
(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
CID 7159230
3-tert-butyloxolane-2,5-dione
CID 10820811
5-methylidene-3-pent-1-en-3-yloxolan-2-one
CID 67988224
4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
CID 102340389
4-(trifluoromethyl)oxetan-2-one
CID 54520542
(3R)-3-amino-6-methylideneoxan-2-one
CID 11094626
1-methylidene-2-(trifluoromethyl)cyclopentane
CID 18520883
(5S)-3,5-ditert-butyloxane-2,6-dione
CID 89331344
3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
CID 121369308

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-(trifluoromethyl)oxolan-2-one?
The IUPAC name of 5-methylidene-3-(trifluoromethyl)oxolan-2-one (CID 15724418) is 5-methylidene-3-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for 5-methylidene-3-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for 5-methylidene-3-(trifluoromethyl)oxolan-2-one is C=C1CC(C(F)(F)F)C(=O)O1.
What is the InChIKey of 5-methylidene-3-(trifluoromethyl)oxolan-2-one?
The InChIKey is CWEWOFFYBYOCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h4H,1-2H2.
What are the key properties of 5-methylidene-3-(trifluoromethyl)oxolan-2-one?
5-methylidene-3-(trifluoromethyl)oxolan-2-one has a molecular weight of 166.10 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 15724418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).