4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol

C9H15F3O2 — CID 121279372

IUPAC4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(CO)CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O2/c1-7(6-13)2-4-8(14,5-3-7)9(10,11)12/h13-14H,2-6H2,1H3
InChIKeyZQYZQPJDUQHUIQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.85
Rot. Bonds1

About 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol

4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 121279372) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID121279372
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(CO)CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O2/c1-7(6-13)2-4-8(14,5-3-7)9(10,11)12/h13-14H,2-6H2,1H3
InChIKeyZQYZQPJDUQHUIQ-UHFFFAOYSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol (CID 121279372) is 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol is CC1(CO)CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ZQYZQPJDUQHUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-7(6-13)2-4-8(14,5-3-7)9(10,11)12/h13-14H,2-6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol?
4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 212.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 121279372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).