methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane

C7H11F7 — CID 161018111

IUPACmethane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
SMILESC.CC(C)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7.CH4/c1-3(2)4(7,5(8,9)10)6(11,12)13;/h3H,1-2H3;1H4
InChIKeyTXZLWRVQIOLRFY-UHFFFAOYSA-N
MW228.15 g/mol
LogP4.11
Rot. Bonds1

About methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane

methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane (PubChem CID 161018111) has the molecular formula C7H11F7 and a molecular weight of 228.15 g/mol. Its IUPAC name is methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane.

Molecular Properties

Compound Namemethane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
PubChem CID161018111
Molecular FormulaC7H11F7
Molecular Weight228.15 g/mol
Exact Mass228.07
IUPAC Namemethane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
SMILESC.CC(C)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7.CH4/c1-3(2)4(7,5(8,9)10)6(11,12)13;/h3H,1-2H3;1H4
InChIKeyTXZLWRVQIOLRFY-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1,1,1,2-tetrafluoro-2,3-dimethylbutane
CID 158961607
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
2-chloro-2-fluoro-3-methylbutane
CID 88897527
1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane
CID 162585393
1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
CID 54544362
1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
CID 15267638
3,3-difluoro-2,2,4-trimethylpentane
CID 88950288
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
4-chloro-1,1,1,2,2-pentafluoro-3-methylbutane
CID 12613474
2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707

Frequently Asked Questions

What is the IUPAC name of methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane?
The IUPAC name of methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane (CID 161018111) is methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane.
What is the SMILES notation for methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane?
The canonical SMILES for methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane is C.CC(C)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane?
The InChIKey is TXZLWRVQIOLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7.CH4/c1-3(2)4(7,5(8,9)10)6(11,12)13;/h3H,1-2H3;1H4.
What are the key properties of methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane?
methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane has a molecular weight of 228.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane is sourced from PubChem (CID 161018111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).