1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane

C12H23F3O — CID 134243338

IUPAC1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane
SMILESCCOC(F)C(C)(C)C(F)(F)C(C)(C)CC
InChIInChI=1S/C12H23F3O/c1-7-10(3,4)12(14,15)11(5,6)9(13)16-8-2/h9H,7-8H2,1-6H3
InChIKeyWGTIQWIEWHRHIW-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.42
Rot. Bonds6

About 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane

1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane (PubChem CID 134243338) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane.

Molecular Properties

Compound Name1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane
PubChem CID134243338
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane
SMILESCCOC(F)C(C)(C)C(F)(F)C(C)(C)CC
InChIInChI=1S/C12H23F3O/c1-7-10(3,4)12(14,15)11(5,6)9(13)16-8-2/h9H,7-8H2,1-6H3
InChIKeyWGTIQWIEWHRHIW-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
CID 19761930
1-(1,1-Difluoro-2-methylbutoxy)hexane
CID 20823309
1-[2-(Trifluoromethyl)butoxy]hexane
CID 22002832
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
1-(2-Fluoroethoxy)-3,5,5-trimethylhexane
CID 54376322
2,2-Difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 58275595
(1,1-Difluoro-2-methylpropoxy)methylcyclopentane
CID 58422627
6-Ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
CID 58766550
6-Ethoxy-1,1,1-trifluoro-2-methylhexane
CID 58766551
1-(1,1-Difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
CID 59172657
1,1-Difluoropropoxymethylcyclopentane
CID 68233420
1-(3,3-Difluorobutyl)-1-(methoxymethyl)cyclobutane
CID 69923464

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane?
The IUPAC name of 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane (CID 134243338) is 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane.
What is the SMILES notation for 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane?
The canonical SMILES for 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane is CCOC(F)C(C)(C)C(F)(F)C(C)(C)CC.
What is the InChIKey of 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane?
The InChIKey is WGTIQWIEWHRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-7-10(3,4)12(14,15)11(5,6)9(13)16-8-2/h9H,7-8H2,1-6H3.
What are the key properties of 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane?
1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane has a molecular weight of 240.31 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane is sourced from PubChem (CID 134243338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).