1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane

C6H5F9O — CID 19063468

IUPAC1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane
SMILESCOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-16-2-3(7,8)4(9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyFZWCXTXNNZVVAD-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.10
Rot. Bonds3

About 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane

1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane (PubChem CID 19063468) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane
PubChem CID19063468
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane
SMILESCOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-16-2-3(7,8)4(9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyFZWCXTXNNZVVAD-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl perfluoroisobutyl ether
CID 205999
Ethoxynonafluorobutane
CID 206000
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
1,1,1,2,2-Pentafluoro-3-methoxypropane
CID 2776015
1,1,1,2,2,3-Hexafluoro-3-methoxypropane
CID 14272781
1,1,1,2,2,3,3,4-Octafluoro-4-methoxybutane
CID 14272782
1,1,2,2,3,3,4-Heptafluoro-4-methoxybutane
CID 14272784
4-Ethoxy-1,1,1,2,2,3,3-heptafluorobutane
CID 19063503
1,1,1,3,3,3-Hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane
CID 87600988

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane (CID 19063468) is 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane is COCC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane?
The InChIKey is FZWCXTXNNZVVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-16-2-3(7,8)4(9,5(10,11)12)6(13,14)15/h2H2,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane?
1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane has a molecular weight of 264.09 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-methoxy-2-(trifluoromethyl)butane is sourced from PubChem (CID 19063468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).