2-(8,8-difluorooctan-4-yl)-5-methyloxane

C14H26F2O — CID 70944393

IUPAC2-(8,8-difluorooctan-4-yl)-5-methyloxane
SMILESCCCC(CCCC(F)F)C1CCC(C)CO1
InChIInChI=1S/C14H26F2O/c1-3-5-12(6-4-7-14(15)16)13-9-8-11(2)10-17-13/h11-14H,3-10H2,1-2H3
InChIKeyYKWNUDQBRXOHNC-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.65
Rot. Bonds7

About 2-(8,8-difluorooctan-4-yl)-5-methyloxane

2-(8,8-difluorooctan-4-yl)-5-methyloxane (PubChem CID 70944393) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-(8,8-difluorooctan-4-yl)-5-methyloxane.

Molecular Properties

Compound Name2-(8,8-difluorooctan-4-yl)-5-methyloxane
PubChem CID70944393
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2-(8,8-difluorooctan-4-yl)-5-methyloxane
SMILESCCCC(CCCC(F)F)C1CCC(C)CO1
InChIInChI=1S/C14H26F2O/c1-3-5-12(6-4-7-14(15)16)13-9-8-11(2)10-17-13/h11-14H,3-10H2,1-2H3
InChIKeyYKWNUDQBRXOHNC-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
Thromboxane
CID 114873
Perfluorohexylethyl dimethylbutyl ether
CID 10874009
2-Trifluoro-methyl-4-methyltetrahydropyran
CID 129270069
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
(2R,3S)-2-octyl-3-pentyloxane
CID 22102069
Difluorothromboxane
CID 129674200
(2R,4S)-4-fluoro-2-propan-2-yloxane
CID 154718108

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-difluorooctan-4-yl)-5-methyloxane?
The IUPAC name of 2-(8,8-difluorooctan-4-yl)-5-methyloxane (CID 70944393) is 2-(8,8-difluorooctan-4-yl)-5-methyloxane.
What is the SMILES notation for 2-(8,8-difluorooctan-4-yl)-5-methyloxane?
The canonical SMILES for 2-(8,8-difluorooctan-4-yl)-5-methyloxane is CCCC(CCCC(F)F)C1CCC(C)CO1.
What is the InChIKey of 2-(8,8-difluorooctan-4-yl)-5-methyloxane?
The InChIKey is YKWNUDQBRXOHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-3-5-12(6-4-7-14(15)16)13-9-8-11(2)10-17-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(8,8-difluorooctan-4-yl)-5-methyloxane?
2-(8,8-difluorooctan-4-yl)-5-methyloxane has a molecular weight of 248.36 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-difluorooctan-4-yl)-5-methyloxane is sourced from PubChem (CID 70944393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).