3,6-difluoro-2,3,6-trimethyloctane

C11H22F2 — CID 167073987

IUPAC3,6-difluoro-2,3,6-trimethyloctane
SMILESCCC(C)(F)CCC(C)(F)C(C)C
InChIInChI=1S/C11H22F2/c1-6-10(4,12)7-8-11(5,13)9(2)3/h9H,6-8H2,1-5H3
InChIKeyOXFICKOQZOLILA-UHFFFAOYSA-N
MW192.29 g/mol
LogP4.29
Rot. Bonds5

About 3,6-difluoro-2,3,6-trimethyloctane

3,6-difluoro-2,3,6-trimethyloctane (PubChem CID 167073987) has the molecular formula C11H22F2 and a molecular weight of 192.29 g/mol. Its IUPAC name is 3,6-difluoro-2,3,6-trimethyloctane.

Molecular Properties

Compound Name3,6-difluoro-2,3,6-trimethyloctane
PubChem CID167073987
Molecular FormulaC11H22F2
Molecular Weight192.29 g/mol
Exact Mass192.17
IUPAC Name3,6-difluoro-2,3,6-trimethyloctane
SMILESCCC(C)(F)CCC(C)(F)C(C)C
InChIInChI=1S/C11H22F2/c1-6-10(4,12)7-8-11(5,13)9(2)3/h9H,6-8H2,1-5H3
InChIKeyOXFICKOQZOLILA-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
3-fluoro-2,3,5,5-tetramethylheptane
CID 89233452
6-fluoro-2,6,7-trimethyloctan-3-ol
CID 90442290
3-fluoro-3,4-dimethylhexane
CID 153400772
2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
3-fluoro-3,5-dimethylheptane
CID 123257807
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
CID 163907655
fluoromethane;2-methylpropane;1,1,1-trifluoropropane
CID 161219441
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
ethane;2-fluoro-2-methylbutane
CID 143329956

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2,3,6-trimethyloctane?
The IUPAC name of 3,6-difluoro-2,3,6-trimethyloctane (CID 167073987) is 3,6-difluoro-2,3,6-trimethyloctane.
What is the SMILES notation for 3,6-difluoro-2,3,6-trimethyloctane?
The canonical SMILES for 3,6-difluoro-2,3,6-trimethyloctane is CCC(C)(F)CCC(C)(F)C(C)C.
What is the InChIKey of 3,6-difluoro-2,3,6-trimethyloctane?
The InChIKey is OXFICKOQZOLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2/c1-6-10(4,12)7-8-11(5,13)9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 3,6-difluoro-2,3,6-trimethyloctane?
3,6-difluoro-2,3,6-trimethyloctane has a molecular weight of 192.29 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2,3,6-trimethyloctane is sourced from PubChem (CID 167073987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).