1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol

C10H17F3O2 — CID 14412982

IUPAC1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
SMILESCC1(O)CCC(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O2/c1-8(14)5-3-7(4-6-8)9(2,15)10(11,12)13/h7,14-15H,3-6H2,1-2H3
InChIKeyQQEOCSNPKYMWBS-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.24
Rot. Bonds1

About 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol

1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol (PubChem CID 14412982) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
PubChem CID14412982
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
SMILESCC1(O)CCC(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O2/c1-8(14)5-3-7(4-6-8)9(2,15)10(11,12)13/h7,14-15H,3-6H2,1-2H3
InChIKeyQQEOCSNPKYMWBS-UHFFFAOYSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol (CID 14412982) is 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol is CC1(O)CCC(C(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The InChIKey is QQEOCSNPKYMWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-8(14)5-3-7(4-6-8)9(2,15)10(11,12)13/h7,14-15H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 14412982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).