1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol

C13H23F3O2 — CID 103035146

IUPAC1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCOC(C)(C)CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3O2/c1-11(2,18-3)7-8-12(17)6-4-5-10(9-12)13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyHYONZFVVLAOKKC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 103035146) has the molecular formula C13H23F3O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID103035146
Molecular FormulaC13H23F3O2
Molecular Weight268.32 g/mol
Exact Mass268.17
IUPAC Name1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCOC(C)(C)CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3O2/c1-11(2,18-3)7-8-12(17)6-4-5-10(9-12)13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyHYONZFVVLAOKKC-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol
CID 20760671
3-(1,1-Difluoroethyl)-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 20781753
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 20781754
1,1,1-Trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570046
1,1,1-Trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570050
2-[3,5-Bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol
CID 23570063
2,2,3,4,4,5,6,6-Octafluoro-3,5-dimethyl-1-[1,1,3-trifluoro-2-(fluoromethyl)-2-hydroxypropyl]cyclohexan-1-ol
CID 57562086
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-methylbutan-2-yloxy)cyclohexyl]propan-2-ol
CID 57777049
2-[3-Butan-2-yloxy-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57777052
3,5-Diethyl-3-fluoro-1-methylcyclohexan-1-ol
CID 58205707
2-(3-Butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58820966
3-Ethyl-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 58937634

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 103035146) is 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol is COC(C)(C)CCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is HYONZFVVLAOKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O2/c1-11(2,18-3)7-8-12(17)6-4-5-10(9-12)13(14,15)16/h10,17H,4-9H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 103035146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).