3,5-difluoro-2,4,6-trimethylheptane

C10H20F2 — CID 170657718

IUPAC3,5-difluoro-2,4,6-trimethylheptane
SMILESCC(C)C(F)C(C)C(F)C(C)C
InChIInChI=1S/C10H20F2/c1-6(2)9(11)8(5)10(12)7(3)4/h6-10H,1-5H3
InChIKeyFVGONQBEJSALPI-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.61
Rot. Bonds4

About 3,5-difluoro-2,4,6-trimethylheptane

3,5-difluoro-2,4,6-trimethylheptane (PubChem CID 170657718) has the molecular formula C10H20F2 and a molecular weight of 178.27 g/mol. Its IUPAC name is 3,5-difluoro-2,4,6-trimethylheptane.

Molecular Properties

Compound Name3,5-difluoro-2,4,6-trimethylheptane
PubChem CID170657718
Molecular FormulaC10H20F2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name3,5-difluoro-2,4,6-trimethylheptane
SMILESCC(C)C(F)C(C)C(F)C(C)C
InChIInChI=1S/C10H20F2/c1-6(2)9(11)8(5)10(12)7(3)4/h6-10H,1-5H3
InChIKeyFVGONQBEJSALPI-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-2,4,5-trimethylhexane
CID 145154755
(2R,3R)-2-fluoro-3,4-dimethylpentane
CID 163563398
(3S,4S)-4-fluoro-2,5-dimethylhexan-3-ol
CID 177129718
(2R,3S)-1,2-difluoro-3,4-dimethylpentane
CID 174248486
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
1,1-difluoroethane
CID 6368
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-heptacosamethylnonacosane;methane
CID 160593836
ethane;hydron;bis(2,3,4-trimethylpentane)
CID 160880864
1,1,2,3,5,5-hexafluoro-4-methylpentane
CID 138705307
gold;trifluoro(methyl)phosphanium
CID 158866075
(1,1,2-trifluoro-4-methylpentan-3-yl)silane
CID 173293259

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2,4,6-trimethylheptane?
The IUPAC name of 3,5-difluoro-2,4,6-trimethylheptane (CID 170657718) is 3,5-difluoro-2,4,6-trimethylheptane.
What is the SMILES notation for 3,5-difluoro-2,4,6-trimethylheptane?
The canonical SMILES for 3,5-difluoro-2,4,6-trimethylheptane is CC(C)C(F)C(C)C(F)C(C)C.
What is the InChIKey of 3,5-difluoro-2,4,6-trimethylheptane?
The InChIKey is FVGONQBEJSALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2/c1-6(2)9(11)8(5)10(12)7(3)4/h6-10H,1-5H3.
What are the key properties of 3,5-difluoro-2,4,6-trimethylheptane?
3,5-difluoro-2,4,6-trimethylheptane has a molecular weight of 178.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2,4,6-trimethylheptane is sourced from PubChem (CID 170657718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).