methane;1,1,1-trifluoro-2,3-dimethylbutane

C7H15F3 — CID 157393455

IUPACmethane;1,1,1-trifluoro-2,3-dimethylbutane
SMILESC.CC(C)C(C)C(F)(F)F
InChIInChI=1S/C6H11F3.CH4/c1-4(2)5(3)6(7,8)9;/h4-5H,1-3H3;1H4
InChIKeyBMHFECREJJGBDW-UHFFFAOYSA-N
MW156.19 g/mol
LogP3.48
Rot. Bonds1

About methane;1,1,1-trifluoro-2,3-dimethylbutane

methane;1,1,1-trifluoro-2,3-dimethylbutane (PubChem CID 157393455) has the molecular formula C7H15F3 and a molecular weight of 156.19 g/mol. Its IUPAC name is methane;1,1,1-trifluoro-2,3-dimethylbutane.

Molecular Properties

Compound Namemethane;1,1,1-trifluoro-2,3-dimethylbutane
PubChem CID157393455
Molecular FormulaC7H15F3
Molecular Weight156.19 g/mol
Exact Mass156.11
IUPAC Namemethane;1,1,1-trifluoro-2,3-dimethylbutane
SMILESC.CC(C)C(C)C(F)(F)F
InChIInChI=1S/C6H11F3.CH4/c1-4(2)5(3)6(7,8)9;/h4-5H,1-3H3;1H4
InChIKeyBMHFECREJJGBDW-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
CID 155394559
1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
CID 170180258
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
CID 126498580
3-deuterio-1,1,1,5,5,5-hexafluoro-2,3,4-trimethylpentane
CID 169301185
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
CID 23236245
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
CID 126592685
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
5,5,5-trifluoro-3,4-dimethylpent-1-ene
CID 162565604
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
CID 162578568

Frequently Asked Questions

What is the IUPAC name of methane;1,1,1-trifluoro-2,3-dimethylbutane?
The IUPAC name of methane;1,1,1-trifluoro-2,3-dimethylbutane (CID 157393455) is methane;1,1,1-trifluoro-2,3-dimethylbutane.
What is the SMILES notation for methane;1,1,1-trifluoro-2,3-dimethylbutane?
The canonical SMILES for methane;1,1,1-trifluoro-2,3-dimethylbutane is C.CC(C)C(C)C(F)(F)F.
What is the InChIKey of methane;1,1,1-trifluoro-2,3-dimethylbutane?
The InChIKey is BMHFECREJJGBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3.CH4/c1-4(2)5(3)6(7,8)9;/h4-5H,1-3H3;1H4.
What are the key properties of methane;1,1,1-trifluoro-2,3-dimethylbutane?
methane;1,1,1-trifluoro-2,3-dimethylbutane has a molecular weight of 156.19 g/mol, XLogP of 3.48, 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-trifluoro-2,3-dimethylbutane is sourced from PubChem (CID 157393455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).