[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol

C9H15F3O2 — CID 84723375

IUPAC[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCOC1(C(F)(F)F)CCC(CO)CC1
InChIInChI=1S/C9H15F3O2/c1-14-8(9(10,11)12)4-2-7(6-13)3-5-8/h7,13H,2-6H2,1H3
InChIKeyUJSMJATYAKBQPW-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.12
Rot. Bonds2

About [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol

[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 84723375) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID84723375
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCOC1(C(F)(F)F)CCC(CO)CC1
InChIInChI=1S/C9H15F3O2/c1-14-8(9(10,11)12)4-2-7(6-13)3-5-8/h7,13H,2-6H2,1H3
InChIKeyUJSMJATYAKBQPW-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol
CID 21252674
4-(2-Hydroxy-1,1,1-trifluoro-2-propyl)cyclohexanol
CID 53908967
4-(Hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 84733583
(1,2,2,3,3,4,5,5,6,6-Decafluoro-4-methoxycyclohexyl)methanol
CID 88561034
[(1S,4R)-3-fluoro-4-methoxycyclohexyl]methanol
CID 89416566
[4-(Difluoromethoxy)cyclohexyl]methanol
CID 106825516
2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol
CID 118218175
4-(Hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 121279372
4-(Hydroxymethyl)-4-(methoxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 121279380
[4-(Trifluoromethoxy)cyclohexyl]methanol
CID 130661210
1,1,1,3,3,3-Hexafluoro-2-(4-methoxycyclohexyl)propan-2-ol
CID 132121956
4-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol
CID 134374226

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol (CID 84723375) is [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol is COC1(C(F)(F)F)CCC(CO)CC1.
What is the InChIKey of [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is UJSMJATYAKBQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-14-8(9(10,11)12)4-2-7(6-13)3-5-8/h7,13H,2-6H2,1H3.
What are the key properties of [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 212.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 84723375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).