2,2-difluoro-1-methoxy-4-methylhexane

C8H16F2O — CID 162613341

IUPAC2,2-difluoro-1-methoxy-4-methylhexane
SMILESCCC(C)CC(F)(F)COC
InChIInChI=1S/C8H16F2O/c1-4-7(2)5-8(9,10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyHZRJSNLCYJKNPO-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.70
Rot. Bonds5

About 2,2-difluoro-1-methoxy-4-methylhexane

2,2-difluoro-1-methoxy-4-methylhexane (PubChem CID 162613341) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 2,2-difluoro-1-methoxy-4-methylhexane.

Molecular Properties

Compound Name2,2-difluoro-1-methoxy-4-methylhexane
PubChem CID162613341
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name2,2-difluoro-1-methoxy-4-methylhexane
SMILESCCC(C)CC(F)(F)COC
InChIInChI=1S/C8H16F2O/c1-4-7(2)5-8(9,10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyHZRJSNLCYJKNPO-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2-trifluoro-4-methylhexane
CID 145450268
1,1,1-trifluoro-3-methylpentane
CID 21020397
5,5-bis(methoxymethyl)-3-methylnonane
CID 141250163
2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
CID 162617253
3-fluoro-3,5-dimethylheptane
CID 123257807
4,4-difluoro-2,6-dimethyloctanenitrile
CID 170628994
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816
4,4-bis(methoxymethyl)-3,7-dimethylnonane
CID 177251110
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methyldecane
CID 58901254
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
methane;1-methoxy-2-methylbutane
CID 159281556
methane;2,2,4-trimethylhexane
CID 159659116

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methoxy-4-methylhexane?
The IUPAC name of 2,2-difluoro-1-methoxy-4-methylhexane (CID 162613341) is 2,2-difluoro-1-methoxy-4-methylhexane.
What is the SMILES notation for 2,2-difluoro-1-methoxy-4-methylhexane?
The canonical SMILES for 2,2-difluoro-1-methoxy-4-methylhexane is CCC(C)CC(F)(F)COC.
What is the InChIKey of 2,2-difluoro-1-methoxy-4-methylhexane?
The InChIKey is HZRJSNLCYJKNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-4-7(2)5-8(9,10)6-11-3/h7H,4-6H2,1-3H3.
What are the key properties of 2,2-difluoro-1-methoxy-4-methylhexane?
2,2-difluoro-1-methoxy-4-methylhexane has a molecular weight of 166.21 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methoxy-4-methylhexane is sourced from PubChem (CID 162613341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).