(2S)-2-(2,2-difluoroethyl)oxane

C7H12F2O — CID 130286895

IUPAC(2S)-2-(2,2-difluoroethyl)oxane
SMILESFC(F)C[C@@H]1CCCCO1
InChIInChI=1S/C7H12F2O/c8-7(9)5-6-3-1-2-4-10-6/h6-7H,1-5H2/t6-/m0/s1
InChIKeyATXWIKCOMYQNQU-LURJTMIESA-N
MW150.17 g/mol
LogP2.21
Rot. Bonds2

About (2S)-2-(2,2-difluoroethyl)oxane

(2S)-2-(2,2-difluoroethyl)oxane (PubChem CID 130286895) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is (2S)-2-(2,2-difluoroethyl)oxane.

Molecular Properties

Compound Name(2S)-2-(2,2-difluoroethyl)oxane
PubChem CID130286895
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(2S)-2-(2,2-difluoroethyl)oxane
SMILESFC(F)C[C@@H]1CCCCO1
InChIInChI=1S/C7H12F2O/c8-7(9)5-6-3-1-2-4-10-6/h6-7H,1-5H2/t6-/m0/s1
InChIKeyATXWIKCOMYQNQU-LURJTMIESA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-difluoroethyl)oxane?
The IUPAC name of (2S)-2-(2,2-difluoroethyl)oxane (CID 130286895) is (2S)-2-(2,2-difluoroethyl)oxane.
What is the SMILES notation for (2S)-2-(2,2-difluoroethyl)oxane?
The canonical SMILES for (2S)-2-(2,2-difluoroethyl)oxane is FC(F)C[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-(2,2-difluoroethyl)oxane?
The InChIKey is ATXWIKCOMYQNQU-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F2O/c8-7(9)5-6-3-1-2-4-10-6/h6-7H,1-5H2/t6-/m0/s1.
What are the key properties of (2S)-2-(2,2-difluoroethyl)oxane?
(2S)-2-(2,2-difluoroethyl)oxane has a molecular weight of 150.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-difluoroethyl)oxane is sourced from PubChem (CID 130286895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).