1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C12H18F6O — CID 103312537

IUPAC1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCCC1CCC(C(O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H18F6O/c1-2-7-3-5-8(6-4-7)9(19)10(11(13,14)15)12(16,17)18/h7-10,19H,2-6H2,1H3
InChIKeyKSJFBBHZXXAWSW-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 103312537) has the molecular formula C12H18F6O and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID103312537
Molecular FormulaC12H18F6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCCC1CCC(C(O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H18F6O/c1-2-7-3-5-8(6-4-7)9(19)10(11(13,14)15)12(16,17)18/h7-10,19H,2-6H2,1H3
InChIKeyKSJFBBHZXXAWSW-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 64748582
2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol
CID 107443281
3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901066
cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
(4-ethylcyclohexyl)-methoxymethanol
CID 89033232
2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol
CID 116712860
1-(4-ethylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 65394345
1-(4-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105103646
2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
CID 139741189
2-(4-ethylcyclohexyl)-2-fluoroacetic acid
CID 81358265

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 103312537) is 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is CCC1CCC(C(O)C(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is KSJFBBHZXXAWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O/c1-2-7-3-5-8(6-4-7)9(19)10(11(13,14)15)12(16,17)18/h7-10,19H,2-6H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 292.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103312537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).