1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane

C5H5F7 — CID 15044638

IUPAC1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane
SMILESFCC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7/c6-2-3(5(10,11)12)1-4(7,8)9/h3H,1-2H2
InChIKeyTZIPJPZIROPCTH-UHFFFAOYSA-N
MW198.08 g/mol
LogP3.09
Rot. Bonds2

About 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane

1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane (PubChem CID 15044638) has the molecular formula C5H5F7 and a molecular weight of 198.08 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane
PubChem CID15044638
Molecular FormulaC5H5F7
Molecular Weight198.08 g/mol
Exact Mass198.03
IUPAC Name1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane
SMILESFCC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7/c6-2-3(5(10,11)12)1-4(7,8)9/h3H,1-2H2
InChIKeyTZIPJPZIROPCTH-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
CID 82534528
(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 170263516
tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)butane;uranium
CID 159084078
1,1,1,5,5,5-hexafluoro-2-methylpentane;methane;1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 159118137
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161
1,1,1,7,7,7-hexafluoro-3,4,5-tris(trifluoromethyl)heptane
CID 155426973
1,3,3-trifluoro-2-(fluoromethyl)butane
CID 13207097
trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane
CID 154137366
1,1,1-trifluoro-3-[tri(propan-2-yloxy)methyl]undecane
CID 151669303
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane (CID 15044638) is 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane is FCC(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane?
The InChIKey is TZIPJPZIROPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7/c6-2-3(5(10,11)12)1-4(7,8)9/h3H,1-2H2.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane?
1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane has a molecular weight of 198.08 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane is sourced from PubChem (CID 15044638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).