[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane

C14H22F6O — CID 118217406

IUPAC[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane
SMILESCC(C)(C)C(OCC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O/c1-11(2,3)12(13(15,16)17,14(18,19)20)21-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyHSZVSPMAMQVOQY-UHFFFAOYSA-N
MW320.32 g/mol
LogP5.49
Rot. Bonds3

About [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane

[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane (PubChem CID 118217406) has the molecular formula C14H22F6O and a molecular weight of 320.32 g/mol. Its IUPAC name is [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane.

Molecular Properties

Compound Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane
PubChem CID118217406
Molecular FormulaC14H22F6O
Molecular Weight320.32 g/mol
Exact Mass320.16
IUPAC Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane
SMILESCC(C)(C)C(OCC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O/c1-11(2,3)12(13(15,16)17,14(18,19)20)21-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyHSZVSPMAMQVOQY-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
1-[Difluoro(propoxy)methyl]-4-fluorocyclohexane
CID 21052142
[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
[2,2,2-Trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
CID 58952846
[1,1,1,3,3,3-Hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
CID 58969682
4-Cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane
CID 59672092
2-(1,1-Difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane
CID 71079301
(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 89363105
2-(3,3,4,4-Tetrafluoropentoxy)propan-2-ylcyclohexane
CID 89565500

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane?
The IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane (CID 118217406) is [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane.
What is the SMILES notation for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane?
The canonical SMILES for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane is CC(C)(C)C(OCC1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane?
The InChIKey is HSZVSPMAMQVOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6O/c1-11(2,3)12(13(15,16)17,14(18,19)20)21-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3.
What are the key properties of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane?
[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane has a molecular weight of 320.32 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane is sourced from PubChem (CID 118217406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).