1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol

C14H25F3O2 — CID 116755418

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol
SMILESCCOC1(C(O)CCC(F)(F)F)CCC(C)(C)CC1
InChIInChI=1S/C14H25F3O2/c1-4-19-13(9-7-12(2,3)8-10-13)11(18)5-6-14(15,16)17/h11,18H,4-10H2,1-3H3
InChIKeyFOFWUKPGYOUYCV-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.07
Rot. Bonds5

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 116755418) has the molecular formula C14H25F3O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol
PubChem CID116755418
Molecular FormulaC14H25F3O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol
SMILESCCOC1(C(O)CCC(F)(F)F)CCC(C)(C)CC1
InChIInChI=1S/C14H25F3O2/c1-4-19-13(9-7-12(2,3)8-10-13)11(18)5-6-14(15,16)17/h11,18H,4-10H2,1-3H3
InChIKeyFOFWUKPGYOUYCV-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol with MolForge

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Related Compounds

(1-Ethoxy-4,4-dimethylcyclohexyl)methanol
CID 130591113
(1-Methoxy-4,4-dimethylcyclohexyl)methanol
CID 130591114
4-tert-butyl-1-[(2R)-2-(trifluoromethyl)oxiran-2-yl]cyclohexan-1-ol
CID 101164539
1-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
CID 58969670
[6-Tert-butyl-4,5-difluoro-3-(3-methylpentan-3-yloxy)oxan-2-yl]methanol
CID 71040666
4-[2-(3,3,3-Trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol
CID 129119230
1,1,1-Trifluoro-2-methyl-3-[2-(4-methylcyclohexyl)propan-2-yloxy]propan-2-ol
CID 129119232
2-Ethoxy-2-fluoro-1-(4-propylcyclohexyl)ethanol
CID 144328786
1-[4,4,7,8,8,8-Hexafluoro-3,5,5-trimethyl-7-(trifluoromethyl)octan-3-yl]oxypropan-2-ol
CID 170368287
3-Cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-ol
CID 10043678
3-Cyclohexyl-3-ethoxy-4,4,5,5,5-pentafluoropentan-2-ol
CID 10335167
4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-ol
CID 61770596

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol (CID 116755418) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol is CCOC1(C(O)CCC(F)(F)F)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is FOFWUKPGYOUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O2/c1-4-19-13(9-7-12(2,3)8-10-13)11(18)5-6-14(15,16)17/h11,18H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 116755418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).