(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane

C9H16F2O — CID 122450199

IUPAC(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](C)C(F)(CF)[C@H]1C
InChIInChI=1S/C9H16F2O/c1-4-8-6(2)9(11,5-10)7(3)12-8/h6-8H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1
InChIKeyNOHIBOMEYSISDQ-VTBDLZGYSA-N
MW178.22 g/mol
LogP2.50
Rot. Bonds2

About (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane

(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane (PubChem CID 122450199) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane.

Molecular Properties

Compound Name(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane
PubChem CID122450199
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](C)C(F)(CF)[C@H]1C
InChIInChI=1S/C9H16F2O/c1-4-8-6(2)9(11,5-10)7(3)12-8/h6-8H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1
InChIKeyNOHIBOMEYSISDQ-VTBDLZGYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-n-Propyl-3-methyl-tetrahydrofuran
CID 18965607
2,3,4,5-Tetramethyltetrahydrofuran
CID 22022762
(2S,4S)-2-methyl-4-propan-2-yloxolane
CID 134861879
3-Butyltetrahydro-2-methylfuran (trans)
CID 37514
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
2,5-Diethyl-3,4-bis(trifluoromethyl)oxolane
CID 20771104
2,5-Diethyl-3-(trifluoromethyl)oxolane
CID 20771105
2-Ethyl-4-fluoro-3,5-dimethyloxolane
CID 23557851
(4S,5R)-2-fluoro-6-(fluoromethyl)-3,4,5-trimethyloxane
CID 58241357
2-Ethyl-3-(fluoromethyl)oxolane
CID 58612489
(5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 58685987
(2S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 58995246

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane?
The IUPAC name of (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane (CID 122450199) is (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane.
What is the SMILES notation for (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane?
The canonical SMILES for (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane is CC[C@H]1O[C@@H](C)C(F)(CF)[C@H]1C.
What is the InChIKey of (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane?
The InChIKey is NOHIBOMEYSISDQ-VTBDLZGYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-4-8-6(2)9(11,5-10)7(3)12-8/h6-8H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1.
What are the key properties of (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane?
(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane has a molecular weight of 178.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-2,4-dimethyloxolane is sourced from PubChem (CID 122450199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).