1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane

C6H7F7O — CID 162348184

IUPAC1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane
SMILESCC(CC(F)C(F)(F)F)OC(F)(F)F
InChIInChI=1S/C6H7F7O/c1-3(14-6(11,12)13)2-4(7)5(8,9)10/h3-4H,2H2,1H3
InChIKeyWKDBVKGHHBGIDK-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.20
Rot. Bonds3

About 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane

1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane (PubChem CID 162348184) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane
PubChem CID162348184
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane
SMILESCC(CC(F)C(F)(F)F)OC(F)(F)F
InChIInChI=1S/C6H7F7O/c1-3(14-6(11,12)13)2-4(7)5(8,9)10/h3-4H,2H2,1H3
InChIKeyWKDBVKGHHBGIDK-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Hexafluoroisopropyl methyl ether
CID 25749
1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
2-(Trifluoromethoxy)propane
CID 21068678
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770
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
2-Ethoxy-1,1,1,3,3,3-hexafluoropropane
CID 22178536
1,1,1,2,2,5,5,5-Octafluoro-3,4-dimethoxypentane
CID 91723921
1,1,1,2,3,3-Hexafluoro-4-methoxybutane
CID 93885
4-Ethoxy-1,1,1,2,3,3-hexafluoropentane
CID 13271509

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane?
The IUPAC name of 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane (CID 162348184) is 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane?
The canonical SMILES for 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane is CC(CC(F)C(F)(F)F)OC(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane?
The InChIKey is WKDBVKGHHBGIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-3(14-6(11,12)13)2-4(7)5(8,9)10/h3-4H,2H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane?
1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane has a molecular weight of 228.11 g/mol, XLogP of 3.20, 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-tetrafluoro-4-(trifluoromethoxy)pentane is sourced from PubChem (CID 162348184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).