1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane

C9H3F17 — CID 89358349

IUPAC1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
SMILESCC(F)(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F17/c1-2(10,3(11,6(15,16)17)7(18,19)20)5(13,14)4(12,8(21,22)23)9(24,25)26/h1H3
InChIKeyOEYJGQMKWAWSNX-UHFFFAOYSA-N
MW434.09 g/mol
LogP6.02
Rot. Bonds3

About 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane

1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane (PubChem CID 89358349) has the molecular formula C9H3F17 and a molecular weight of 434.09 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
PubChem CID89358349
Molecular FormulaC9H3F17
Molecular Weight434.09 g/mol
Exact Mass434.00
IUPAC Name1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
SMILESCC(F)(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F17/c1-2(10,3(11,6(15,16)17)7(18,19)20)5(13,14)4(12,8(21,22)23)9(24,25)26/h1H3
InChIKeyOEYJGQMKWAWSNX-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.09
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane with MolForge

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Related Compounds

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
CID 167303486
1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
CID 22568684
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,3-dimethyl-4-(trifluoromethyl)pentane
CID 146336629
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane
CID 141408604
2,2,3,3,4,4-hexafluoropentane
CID 18188371
2-butoxy-1,1,1,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
CID 150873626
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane
CID 170095555

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane (CID 89358349) is 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane is CC(F)(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane?
The InChIKey is OEYJGQMKWAWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F17/c1-2(10,3(11,6(15,16)17)7(18,19)20)5(13,14)4(12,8(21,22)23)9(24,25)26/h1H3.
What are the key properties of 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane?
1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane has a molecular weight of 434.09 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane is sourced from PubChem (CID 89358349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).