5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol

C9H11F7O — CID 20760671

IUPAC5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1CC(O)(C(F)(F)F)C(F)(F)CC1(F)F
InChIInChI=1S/C9H11F7O/c1-2-5-3-7(17,9(14,15)16)8(12,13)4-6(5,10)11/h5,17H,2-4H2,1H3
InChIKeyGRTWDKSKSDCBNR-UHFFFAOYSA-N
MW268.17 g/mol
LogP3.37
Rot. Bonds1

About 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol

5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 20760671) has the molecular formula C9H11F7O and a molecular weight of 268.17 g/mol. Its IUPAC name is 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID20760671
Molecular FormulaC9H11F7O
Molecular Weight268.17 g/mol
Exact Mass268.07
IUPAC Name5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1CC(O)(C(F)(F)F)C(F)(F)CC1(F)F
InChIInChI=1S/C9H11F7O/c1-2-5-3-7(17,9(14,15)16)8(12,13)4-6(5,10)11/h5,17H,2-4H2,1H3
InChIKeyGRTWDKSKSDCBNR-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol with MolForge

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Related Compounds

1-Methyl-3-(2-methylpropyl)cyclohexanol
CID 22476645
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
1,3-Bis(1,1,2,3,3,3-hexafluoropropyl)-1,3-cyclohexanediol
CID 10693221
9,9,9-Trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
CID 23272476
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclohexan-1-ol
CID 101874589
1,1,1,3,3,3-Hexafluoro-2-cyclohexyl-2-propanol
CID 11149363
2,2'-(1,4-Cyclohexanediyl)bis(1,1,1,3,3,3-hexafluoro-2-propanol)
CID 13876330
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Heptadecafluoro-5-methyltridecan-5-ol
CID 13928892
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-3-methylundecan-3-ol
CID 13928896
1-Methyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 18336101
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,3,6,6-hexafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743869
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743870

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol (CID 20760671) is 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol is CCC1CC(O)(C(F)(F)F)C(F)(F)CC1(F)F.
What is the InChIKey of 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is GRTWDKSKSDCBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O/c1-2-5-3-7(17,9(14,15)16)8(12,13)4-6(5,10)11/h5,17H,2-4H2,1H3.
What are the key properties of 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol?
5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 268.17 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 20760671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).