1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane

C8H12F6 — CID 22568684

IUPAC1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
SMILESCC(C)(C)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-5(2,3)6(4,9)7(10,11)8(12,13)14/h1-4H3
InChIKeyNLKBOTMCFPRFGA-UHFFFAOYSA-N
MW222.17 g/mol
LogP3.96
Rot. Bonds1

About 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane

1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane (PubChem CID 22568684) has the molecular formula C8H12F6 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
PubChem CID22568684
Molecular FormulaC8H12F6
Molecular Weight222.17 g/mol
Exact Mass222.08
IUPAC Name1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
SMILESCC(C)(C)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F6/c1-5(2,3)6(4,9)7(10,11)8(12,13)14/h1-4H3
InChIKeyNLKBOTMCFPRFGA-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
CID 129191399
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
2,2,3,3,4,4-hexafluoropentane
CID 18188371
1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
CID 173336880
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,2,3,3,4,4,4-octafluoro-2-methylbutane-1-sulfonic acid
CID 134187116
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)pentane
CID 11515508
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
1,1,2,3,3,4,4,5,5,5-decafluoro-N,N,2-trimethylpentan-1-amine
CID 19761920

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane?
The IUPAC name of 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane (CID 22568684) is 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane?
The canonical SMILES for 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane is CC(C)(C)C(C)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane?
The InChIKey is NLKBOTMCFPRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6/c1-5(2,3)6(4,9)7(10,11)8(12,13)14/h1-4H3.
What are the key properties of 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane?
1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane has a molecular weight of 222.17 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane is sourced from PubChem (CID 22568684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).