[2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane

C14H22F6O — CID 58952846

IUPAC[2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
SMILESCCC(C)(COC(C1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O/c1-3-12(2,14(18,19)20)9-21-11(13(15,16)17)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyBUSMJWQLOYXNHC-UHFFFAOYSA-N
MW320.32 g/mol
LogP5.49
Rot. Bonds5

About [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane

[2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane (PubChem CID 58952846) has the molecular formula C14H22F6O and a molecular weight of 320.32 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
PubChem CID58952846
Molecular FormulaC14H22F6O
Molecular Weight320.32 g/mol
Exact Mass320.16
IUPAC Name[2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
SMILESCCC(C)(COC(C1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O/c1-3-12(2,14(18,19)20)9-21-11(13(15,16)17)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyBUSMJWQLOYXNHC-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.32
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
[Ethoxy(difluoro)methyl]cyclohexane
CID 18725579
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(3,5,5-trimethylhexyl) ether
CID 18787822
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)(3,5,5-trimethylhexyl) ether
CID 18787824
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
CID 18787828
[Fluoro(propan-2-yloxy)methyl]cyclohexane
CID 19850336
1-[Difluoro(propoxy)methyl]-4-fluorocyclohexane
CID 21052142
1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane
CID 21137276
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697

Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane?
The IUPAC name of [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane (CID 58952846) is [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane.
What is the SMILES notation for [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane?
The canonical SMILES for [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane is CCC(C)(COC(C1CCCCC1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane?
The InChIKey is BUSMJWQLOYXNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6O/c1-3-12(2,14(18,19)20)9-21-11(13(15,16)17)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane?
[2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane has a molecular weight of 320.32 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane is sourced from PubChem (CID 58952846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).