4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane

C5H4F8O — CID 2774979

IUPAC4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane
SMILESFC(F)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(5(11,12)13)4(9,10)1-14-3(7)8/h2-3H,1H2
InChIKeyDVXZKBNTNAKELW-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.76
Rot. Bonds4

About 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane

4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane (PubChem CID 2774979) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane.

Molecular Properties

Compound Name4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane
PubChem CID2774979
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane
SMILESFC(F)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(5(11,12)13)4(9,10)1-14-3(7)8/h2-3H,1H2
InChIKeyDVXZKBNTNAKELW-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Flurothyl
CID 9528
Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
Ethoxynonafluorobutane
CID 206000
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane?
The IUPAC name of 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane (CID 2774979) is 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane.
What is the SMILES notation for 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane?
The canonical SMILES for 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane is FC(F)OCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane?
The InChIKey is DVXZKBNTNAKELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O/c6-2(5(11,12)13)4(9,10)1-14-3(7)8/h2-3H,1H2.
What are the key properties of 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane?
4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane has a molecular weight of 232.07 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1,1,1,2,3,3-hexafluorobutane is sourced from PubChem (CID 2774979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).