2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane

C8H11F7 — CID 158342354

IUPAC2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
SMILESCCC(F)(C(F)(F)F)C(F)(F)C(C)(C)F
InChIInChI=1S/C8H11F7/c1-4-6(10,8(13,14)15)7(11,12)5(2,3)9/h4H2,1-3H3
InChIKeyIGVDUDIBVJZGEF-UHFFFAOYSA-N
MW240.16 g/mol
LogP4.05
Rot. Bonds3

About 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane

2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane (PubChem CID 158342354) has the molecular formula C8H11F7 and a molecular weight of 240.16 g/mol. Its IUPAC name is 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
PubChem CID158342354
Molecular FormulaC8H11F7
Molecular Weight240.16 g/mol
Exact Mass240.07
IUPAC Name2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
SMILESCCC(F)(C(F)(F)F)C(F)(F)C(C)(C)F
InChIInChI=1S/C8H11F7/c1-4-6(10,8(13,14)15)7(11,12)5(2,3)9/h4H2,1-3H3
InChIKeyIGVDUDIBVJZGEF-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
CID 90262453
2,3,3,4,4-pentafluoro-2-methylhexane
CID 170083407
3-fluoro-3-(trifluoromethyl)pentane
CID 59742437
(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
CID 89245722
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
ethane;2-fluoro-2-methylbutane
CID 143329956
4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane
CID 87075252
1,1,1,2,3-pentafluoro-2,3-dimethylpentane
CID 88907559
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-methyloctan-3-ol
CID 151697911
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane?
The IUPAC name of 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane (CID 158342354) is 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane.
What is the SMILES notation for 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane?
The canonical SMILES for 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane is CCC(F)(C(F)(F)F)C(F)(F)C(C)(C)F.
What is the InChIKey of 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane?
The InChIKey is IGVDUDIBVJZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7/c1-4-6(10,8(13,14)15)7(11,12)5(2,3)9/h4H2,1-3H3.
What are the key properties of 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane?
2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane has a molecular weight of 240.16 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane is sourced from PubChem (CID 158342354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).