1,1,1,2,3,3-hexafluoro-4-methylhexane

C7H10F6 — CID 10798392

IUPAC1,1,1,2,3,3-hexafluoro-4-methylhexane
SMILESCCC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-4(2)6(9,10)5(8)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyHVKAELHBDVPDPC-UHFFFAOYSA-N
MW208.14 g/mol
LogP3.57
Rot. Bonds3

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

1,1,1,2,3,3-hexafluoro-4-methylhexane (PubChem CID 10798392) has the molecular formula C7H10F6 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-methylhexane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-methylhexane
PubChem CID10798392
Molecular FormulaC7H10F6
Molecular Weight208.14 g/mol
Exact Mass208.07
IUPAC Name1,1,1,2,3,3-hexafluoro-4-methylhexane
SMILESCCC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-4(2)6(9,10)5(8)7(11,12)13/h4-5H,3H2,1-2H3
InChIKeyHVKAELHBDVPDPC-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Methyl-2-pentylidene difluoride
CID 21733020
1,1,1-Trifluoro-2-methylhexane
CID 21020573
1,1-Difluoro-2-methyl-3-ethyl cyclopropane
CID 561656
1,1,1,2,3,3-Hexafluoro-5-methylhexane
CID 10512536
2,2,4,4-Tetrafluoro-3-methylpentane
CID 13053141
1,1,1,2,3,3-Hexafluoro-4-methylpentane
CID 15576969
2,2-Difluoro-3,4-dimethylpentane
CID 134417265
1,2,2-Trifluoro-4-methylpentane
CID 153850854
1,1,1,2,2,5,5,6,6,6-Decafluoro-3-methylhexane
CID 12613476
2-(Difluoromethyl)-1,1,1,2,6,6,6-heptafluoro-5-methylhexane
CID 13047336
1,1,1,2,3,3,7,7,7-Nonafluoro-4-methylheptane
CID 13047343
1,1,1,2,2,3,5,5,5-Nonafluoro-3-methyl-4-(trifluoromethyl)pentane
CID 14225156

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methylhexane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methylhexane (CID 10798392) is 1,1,1,2,3,3-hexafluoro-4-methylhexane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-methylhexane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-methylhexane is CCC(C)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-methylhexane?
The InChIKey is HVKAELHBDVPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6/c1-3-4(2)6(9,10)5(8)7(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-methylhexane?
1,1,1,2,3,3-hexafluoro-4-methylhexane has a molecular weight of 208.14 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-methylhexane is sourced from PubChem (CID 10798392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).