(2S)-4,4-difluoro-2-methyloxane

C6H10F2O — CID 125450788

IUPAC(2S)-4,4-difluoro-2-methyloxane
SMILESC[C@H]1CC(F)(F)CCO1
InChIInChI=1S/C6H10F2O/c1-5-4-6(7,8)2-3-9-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyUPQHHKOHZXAFRU-YFKPBYRVSA-N
MW136.14 g/mol
LogP1.82
Rot. Bonds

About (2S)-4,4-difluoro-2-methyloxane

(2S)-4,4-difluoro-2-methyloxane (PubChem CID 125450788) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is (2S)-4,4-difluoro-2-methyloxane.

Molecular Properties

Compound Name(2S)-4,4-difluoro-2-methyloxane
PubChem CID125450788
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name(2S)-4,4-difluoro-2-methyloxane
SMILESC[C@H]1CC(F)(F)CCO1
InChIInChI=1S/C6H10F2O/c1-5-4-6(7,8)2-3-9-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyUPQHHKOHZXAFRU-YFKPBYRVSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-2-methyloxane?
The IUPAC name of (2S)-4,4-difluoro-2-methyloxane (CID 125450788) is (2S)-4,4-difluoro-2-methyloxane.
What is the SMILES notation for (2S)-4,4-difluoro-2-methyloxane?
The canonical SMILES for (2S)-4,4-difluoro-2-methyloxane is C[C@H]1CC(F)(F)CCO1.
What is the InChIKey of (2S)-4,4-difluoro-2-methyloxane?
The InChIKey is UPQHHKOHZXAFRU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F2O/c1-5-4-6(7,8)2-3-9-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-2-methyloxane?
(2S)-4,4-difluoro-2-methyloxane has a molecular weight of 136.14 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-2-methyloxane is sourced from PubChem (CID 125450788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).