4-(2,2,2-trifluoroethoxy)heptane

C9H17F3O — CID 59612061

IUPAC4-(2,2,2-trifluoroethoxy)heptane
SMILESCCCC(CCC)OCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-5-8(6-4-2)13-7-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyVJWGNLCWVKUYDI-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.53
Rot. Bonds6

About 4-(2,2,2-trifluoroethoxy)heptane

4-(2,2,2-trifluoroethoxy)heptane (PubChem CID 59612061) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)heptane.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)heptane
PubChem CID59612061
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name4-(2,2,2-trifluoroethoxy)heptane
SMILESCCCC(CCC)OCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-5-8(6-4-2)13-7-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyVJWGNLCWVKUYDI-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(1-(perfluorobutyl)ethyl) ether
CID 21954135
Bis(1-propylbutyl) ether
CID 20223251
3-(2,2,2-Trifluoroethoxy)hexane
CID 15806351
2-(2,2,2-Trifluoroethoxy)hexane
CID 15806352
2-(2,2,2-Trifluoroethoxy)octane
CID 12643285
1,1,1,2,3,3-Hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
CID 13271511
1,1,1,2,2,3,3-Heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane
CID 18952775
2-(3,3,3-Trifluoropropoxy)hexane
CID 20614890
4-(1,1-Difluoropropoxy)octane
CID 20614894
4-(Fluoromethoxy)heptane
CID 20614895
1,1,1,2-Tetrafluoro-3-(1,1,1,2-tetrafluoroheptan-3-yloxy)heptane
CID 21511539
1,1,1,2-Tetrafluoro-3-(1,1,1,2-tetrafluorohexan-3-yloxy)hexane
CID 21511546

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)heptane?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)heptane (CID 59612061) is 4-(2,2,2-trifluoroethoxy)heptane.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)heptane?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)heptane is CCCC(CCC)OCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)heptane?
The InChIKey is VJWGNLCWVKUYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-3-5-8(6-4-2)13-7-9(10,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2,2,2-trifluoroethoxy)heptane?
4-(2,2,2-trifluoroethoxy)heptane has a molecular weight of 198.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)heptane is sourced from PubChem (CID 59612061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).