2-(3,3,3-trifluoropropoxy)hexane

C9H17F3O — CID 20614890

IUPAC2-(3,3,3-trifluoropropoxy)hexane
SMILESCCCCC(C)OCCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-4-5-8(2)13-7-6-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyMCJMUXNLKQLVDX-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.53
Rot. Bonds6

About 2-(3,3,3-trifluoropropoxy)hexane

2-(3,3,3-trifluoropropoxy)hexane (PubChem CID 20614890) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropoxy)hexane.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropoxy)hexane
PubChem CID20614890
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-(3,3,3-trifluoropropoxy)hexane
SMILESCCCCC(C)OCCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-4-5-8(2)13-7-6-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyMCJMUXNLKQLVDX-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
3-(2,2,2-Trifluoroethoxy)hexane
CID 15806351
2-(2,2,2-Trifluoroethoxy)hexane
CID 15806352
1-(2,2,3,3-Tetrafluoropropyloxy)hexane
CID 129766017
Hex-2-yl ether
CID 12418371
Butylather
CID 13316158
Butyl 1-methylpentyl ether
CID 20545595
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-[(propan-2-yl)oxy]hexane
CID 3015907
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
1-(2,2,3,3-Tetrafluorobutoxy)pentane
CID 19782014

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropoxy)hexane?
The IUPAC name of 2-(3,3,3-trifluoropropoxy)hexane (CID 20614890) is 2-(3,3,3-trifluoropropoxy)hexane.
What is the SMILES notation for 2-(3,3,3-trifluoropropoxy)hexane?
The canonical SMILES for 2-(3,3,3-trifluoropropoxy)hexane is CCCCC(C)OCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropoxy)hexane?
The InChIKey is MCJMUXNLKQLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-3-4-5-8(2)13-7-6-9(10,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3,3,3-trifluoropropoxy)hexane?
2-(3,3,3-trifluoropropoxy)hexane 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 2-(3,3,3-trifluoropropoxy)hexane is sourced from PubChem (CID 20614890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).