methane;1,1,1-trifluoro-2-methylhexane

C9H21F3 — CID 161476124

IUPACmethane;1,1,1-trifluoro-2-methylhexane
SMILESC.C.CCCCC(C)C(F)(F)F
InChIInChI=1S/C7H13F3.2CH4/c1-3-4-5-6(2)7(8,9)10;;/h6H,3-5H2,1-2H3;2*1H4
InChIKeyWDSWIYLXTLZBLL-UHFFFAOYSA-N
MW186.26 g/mol
LogP4.65
Rot. Bonds3

About methane;1,1,1-trifluoro-2-methylhexane

methane;1,1,1-trifluoro-2-methylhexane (PubChem CID 161476124) has the molecular formula C9H21F3 and a molecular weight of 186.26 g/mol. Its IUPAC name is methane;1,1,1-trifluoro-2-methylhexane.

Molecular Properties

Compound Namemethane;1,1,1-trifluoro-2-methylhexane
PubChem CID161476124
Molecular FormulaC9H21F3
Molecular Weight186.26 g/mol
Exact Mass186.16
IUPAC Namemethane;1,1,1-trifluoro-2-methylhexane
SMILESC.C.CCCCC(C)C(F)(F)F
InChIInChI=1S/C7H13F3.2CH4/c1-3-4-5-6(2)7(8,9)10;;/h6H,3-5H2,1-2H3;2*1H4
InChIKeyWDSWIYLXTLZBLL-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dichloro-1-fluoro-2-methylhexane
CID 173319055
1,1,1-trifluorohexan-2-amine
CID 50998628
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
1,1,1,13,13,13-hexafluoro-2-methyltridecane
CID 155394639
bis(2,2-dimethylbutane);2,3-dimethylbutane;3-methylpentane;1,1,1-trifluoroheptane;(2S)-1,1,1-trifluoro-2-methylhexane
CID 165037121
1,1,1-trifluoro-2,10,10-trimethylundecane
CID 89223709
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
1,1,2-trifluorohexan-1-ol
CID 142765310
3-ethyl-2,3,4-trimethyloctane
CID 57491124

Frequently Asked Questions

What is the IUPAC name of methane;1,1,1-trifluoro-2-methylhexane?
The IUPAC name of methane;1,1,1-trifluoro-2-methylhexane (CID 161476124) is methane;1,1,1-trifluoro-2-methylhexane.
What is the SMILES notation for methane;1,1,1-trifluoro-2-methylhexane?
The canonical SMILES for methane;1,1,1-trifluoro-2-methylhexane is C.C.CCCCC(C)C(F)(F)F.
What is the InChIKey of methane;1,1,1-trifluoro-2-methylhexane?
The InChIKey is WDSWIYLXTLZBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3.2CH4/c1-3-4-5-6(2)7(8,9)10;;/h6H,3-5H2,1-2H3;2*1H4.
What are the key properties of methane;1,1,1-trifluoro-2-methylhexane?
methane;1,1,1-trifluoro-2-methylhexane has a molecular weight of 186.26 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,1-trifluoro-2-methylhexane is sourced from PubChem (CID 161476124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).