1,1,1,3,3,3-hexafluoro-2-methylpropane

C16H16F24 — CID 158463707

IUPAC1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/4C4H4F6/c4*1-2(3(5,6)7)4(8,9)10/h4*2H,1H3
InChIKeyHFMKDADSOOYVMV-UHFFFAOYSA-N
MW664.26 g/mol
LogP10.99
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2-methylpropane

1,1,1,3,3,3-hexafluoro-2-methylpropane (PubChem CID 158463707) has the molecular formula C16H16F24 and a molecular weight of 664.26 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methylpropane
PubChem CID158463707
Molecular FormulaC16H16F24
Molecular Weight664.26 g/mol
Exact Mass664.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/4C4H4F6/c4*1-2(3(5,6)7)4(8,9)10/h4*2H,1H3
InChIKeyHFMKDADSOOYVMV-UHFFFAOYSA-N
XLogP10.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.26
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
(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
(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
CID 23236245
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
CID 155394559
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
CID 162578568
5,5,5-trifluoro-3,4-dimethylpent-1-ene
CID 162565604
1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
CID 170180258
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropane (CID 158463707) is 1,1,1,3,3,3-hexafluoro-2-methylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methylpropane is CC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F.CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methylpropane?
The InChIKey is HFMKDADSOOYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H4F6/c4*1-2(3(5,6)7)4(8,9)10/h4*2H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methylpropane?
1,1,1,3,3,3-hexafluoro-2-methylpropane has a molecular weight of 664.26 g/mol, XLogP of 10.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methylpropane is sourced from PubChem (CID 158463707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).