methane;bis(1,1,1-trifluoro-2-methylbutane)

C11H22F6 — CID 161468876

IUPACmethane;bis(1,1,1-trifluoro-2-methylbutane)
SMILESC.CCC(C)C(F)(F)F.CCC(C)C(F)(F)F
InChIInChI=1S/2C5H9F3.CH4/c2*1-3-4(2)5(6,7)8;/h2*4H,3H2,1-2H3;1H4
InChIKeyWCUNUXJEXCBEBQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP5.83
Rot. Bonds2

About methane;bis(1,1,1-trifluoro-2-methylbutane)

methane;bis(1,1,1-trifluoro-2-methylbutane) (PubChem CID 161468876) has the molecular formula C11H22F6 and a molecular weight of 268.28 g/mol. Its IUPAC name is methane;bis(1,1,1-trifluoro-2-methylbutane).

Molecular Properties

Compound Namemethane;bis(1,1,1-trifluoro-2-methylbutane)
PubChem CID161468876
Molecular FormulaC11H22F6
Molecular Weight268.28 g/mol
Exact Mass268.16
IUPAC Namemethane;bis(1,1,1-trifluoro-2-methylbutane)
SMILESC.CCC(C)C(F)(F)F.CCC(C)C(F)(F)F
InChIInChI=1S/2C5H9F3.CH4/c2*1-3-4(2)5(6,7)8;/h2*4H,3H2,1-2H3;1H4
InChIKeyWCUNUXJEXCBEBQ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.28
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-2,2-difluoro-3-methylpentane
CID 129370790
bis(1,1-difluoro-2-methylbutane);bis(1-fluoro-2-methylbutane);methane;tris(2-methylbutane);1,1,1-trifluoro-2-methylbutane
CID 159660657
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
3-fluoro-3,4-dimethylhexane
CID 153400772
1,1-difluoro-2-methylbut-1-ene;fluoroethane;methane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane
CID 159542893
1,1,1,5,5,5-hexafluoro-2-methylpentane;methane;1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 159118137
3-bromo-1,1,1-trifluoro-2-methylpropane
CID 71756869
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627
butane;bis(2,2-dimethylbutane);bis(2-methylbutane);bis(2-methylpentane);bis(1,1,1-trifluorobutane);bis(1,1,1-trifluoro-2-methylbutane)
CID 161063659
2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine
CID 87186007
5,5,5-trifluoro-4-methylpentan-2-amine
CID 55254968

Frequently Asked Questions

What is the IUPAC name of methane;bis(1,1,1-trifluoro-2-methylbutane)?
The IUPAC name of methane;bis(1,1,1-trifluoro-2-methylbutane) (CID 161468876) is methane;bis(1,1,1-trifluoro-2-methylbutane).
What is the SMILES notation for methane;bis(1,1,1-trifluoro-2-methylbutane)?
The canonical SMILES for methane;bis(1,1,1-trifluoro-2-methylbutane) is C.CCC(C)C(F)(F)F.CCC(C)C(F)(F)F.
What is the InChIKey of methane;bis(1,1,1-trifluoro-2-methylbutane)?
The InChIKey is WCUNUXJEXCBEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9F3.CH4/c2*1-3-4(2)5(6,7)8;/h2*4H,3H2,1-2H3;1H4.
What are the key properties of methane;bis(1,1,1-trifluoro-2-methylbutane)?
methane;bis(1,1,1-trifluoro-2-methylbutane) has a molecular weight of 268.28 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1,1,1-trifluoro-2-methylbutane) is sourced from PubChem (CID 161468876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).