1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane

C14H20F8O — CID 118217393

IUPAC1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
SMILESCC(C)(C)C(OCC1CCC(F)(F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F8O/c1-10(2,3)12(13(17,18)19,14(20,21)22)23-8-9-4-6-11(15,16)7-5-9/h9H,4-8H2,1-3H3
InChIKeyCSWCYYAMDLTSJU-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.74
Rot. Bonds3

About 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane

1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane (PubChem CID 118217393) has the molecular formula C14H20F8O and a molecular weight of 356.30 g/mol. Its IUPAC name is 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
PubChem CID118217393
Molecular FormulaC14H20F8O
Molecular Weight356.30 g/mol
Exact Mass356.14
IUPAC Name1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
SMILESCC(C)(C)C(OCC1CCC(F)(F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F8O/c1-10(2,3)12(13(17,18)19,14(20,21)22)23-8-9-4-6-11(15,16)7-5-9/h9H,4-8H2,1-3H3
InChIKeyCSWCYYAMDLTSJU-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane with MolForge

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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-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
The IUPAC name of 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane (CID 118217393) is 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane is CC(C)(C)C(OCC1CCC(F)(F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
The InChIKey is CSWCYYAMDLTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F8O/c1-10(2,3)12(13(17,18)19,14(20,21)22)23-8-9-4-6-11(15,16)7-5-9/h9H,4-8H2,1-3H3.
What are the key properties of 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane?
1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane has a molecular weight of 356.30 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane is sourced from PubChem (CID 118217393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).