[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane

C16H26F6O2 — CID 170712695

IUPAC[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane
SMILESCOCC(CCC(C(F)(F)F)C(F)(F)F)(COC)C1CCCCC1
InChIInChI=1S/C16H26F6O2/c1-23-10-14(11-24-2,12-6-4-3-5-7-12)9-8-13(15(17,18)19)16(20,21)22/h12-13H,3-11H2,1-2H3
InChIKeyCFKWTCBJSAWLTM-UHFFFAOYSA-N
MW364.37 g/mol
LogP5.37
Rot. Bonds8

About [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane

[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane (PubChem CID 170712695) has the molecular formula C16H26F6O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane.

Molecular Properties

Compound Name[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane
PubChem CID170712695
Molecular FormulaC16H26F6O2
Molecular Weight364.37 g/mol
Exact Mass364.18
IUPAC Name[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane
SMILESCOCC(CCC(C(F)(F)F)C(F)(F)F)(COC)C1CCCCC1
InChIInChI=1S/C16H26F6O2/c1-23-10-14(11-24-2,12-6-4-3-5-7-12)9-8-13(15(17,18)19)16(20,21)22/h12-13H,3-11H2,1-2H3
InChIKeyCFKWTCBJSAWLTM-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-Butan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-pentoxypropan-2-yl)cyclohexane
CID 58051840
[2-(2-Ethyl-3-hydroperoxy-2-methylbutoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823664
2-Fluoro-4-propyl-1-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexane
CID 89504667
5-Ethyl-1,1-difluoro-2-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexane
CID 89504673
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
CID 90760835
1-[5,7-Difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane
CID 126548139
1,1,1,2,2-Pentafluoro-16-[4,7,7-trimethyl-6-[2-(16,16,16-trifluorohexadecoxy)ethyl]octoxy]hexadecane
CID 126586524
1,1,1,2,2-Pentafluoro-18-[4,4,7,7-tetramethyl-6-[2-(18,18,18-trifluorooctadecoxy)ethyl]octoxy]octadecane
CID 126586745
4-(1,1-Difluoro-2,2-dimethylpropyl)-4-fluoro-5-(1,1,2-trifluoro-2-methylpropyl)oxocane
CID 132149003
3-(1,1-Difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane
CID 134188937
1-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane
CID 140425276

Frequently Asked Questions

What is the IUPAC name of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane?
The IUPAC name of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane (CID 170712695) is [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane.
What is the SMILES notation for [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane?
The canonical SMILES for [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane is COCC(CCC(C(F)(F)F)C(F)(F)F)(COC)C1CCCCC1.
What is the InChIKey of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane?
The InChIKey is CFKWTCBJSAWLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F6O2/c1-23-10-14(11-24-2,12-6-4-3-5-7-12)9-8-13(15(17,18)19)16(20,21)22/h12-13H,3-11H2,1-2H3.
What are the key properties of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane?
[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane has a molecular weight of 364.37 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)hexan-2-yl]cyclohexane is sourced from PubChem (CID 170712695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).