(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane

C7H11F3O — CID 156750340

IUPAC(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane
SMILESCC1CCO[C@]1(C)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5-3-4-11-6(5,2)7(8,9)10/h5H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyKGDOPQOFAPUCLA-GDVGLLTNSA-N
MW168.16 g/mol
LogP2.36
Rot. Bonds

About (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane

(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane (PubChem CID 156750340) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane
PubChem CID156750340
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane
SMILESCC1CCO[C@]1(C)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5-3-4-11-6(5,2)7(8,9)10/h5H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyKGDOPQOFAPUCLA-GDVGLLTNSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4-pentamethyloxane
CID 140691979
(4S)-4-methyl-2-(trifluoromethyl)oxan-2-ol
CID 59705891
4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonitrile
CID 175997297
2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63897712
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
ethane;2-methyl-2-(trifluoromethyl)oxetane
CID 177148126
(3S)-2-methyloxolane-2,3-diol
CID 134855830
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732
2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175992393
ethane;3,3,4-trimethyloxane
CID 145166291
[(3S)-2,2-dimethyloxolan-3-yl]hydrazine
CID 125181041
(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
CID 11514035

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The IUPAC name of (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane (CID 156750340) is (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The canonical SMILES for (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane is CC1CCO[C@]1(C)C(F)(F)F.
What is the InChIKey of (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The InChIKey is KGDOPQOFAPUCLA-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H11F3O/c1-5-3-4-11-6(5,2)7(8,9)10/h5H,3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane has a molecular weight of 168.16 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 156750340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).