4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol

C10H17F3O2 — CID 21252674

IUPAC4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol
SMILESCOC(C)(C1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7-8,14H,3-6H2,1-2H3
InChIKeyRHWSVHWLVTXQJF-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds2

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

4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol (PubChem CID 21252674) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol
PubChem CID21252674
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol
SMILESCOC(C)(C1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7-8,14H,3-6H2,1-2H3
InChIKeyRHWSVHWLVTXQJF-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Hydroxypropan-2-yl)cyclohexan-1-ol
CID 58439405
1-(4-Methoxycyclohexyl)cyclohexan-1-ol
CID 18605846
4-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohexanol
CID 13394408
1-Methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 14412982
4-(2,2-Difluoro-1-methylethyl)cyclohexanol
CID 21252718
4-Hydroxy-4-(2-hydroxy-1,1,3,3,3-pentafluoropropyl)cyclohexanemethanol
CID 23108397
4-(2-Hydroxy-1,1,1-trifluoro-2-propyl)cyclohexanol
CID 53908967
3-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 58388552
4-(1,1,1-Trifluoro-2-hydroxypropan-2-yl)cyclohexane-1,3-diol
CID 58455650
3-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 58720460
1,1,1,3,3,3-Hexafluoro-2-[4-[[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxy]cyclohexyl]propan-2-ol
CID 58776681
2-[3-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58820936

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol (CID 21252674) is 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol is COC(C)(C1CCC(O)CC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol?
The InChIKey is RHWSVHWLVTXQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol?
4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 21252674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).