1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C12H19F3O2 — CID 64759063

IUPAC1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCOCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3O2/c13-12(14,15)10-2-1-5-11(16,8-10)9-3-6-17-7-4-9/h9-10,16H,1-8H2
InChIKeyIPZCHKKQGMDIIM-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.90
Rot. Bonds1

About 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64759063) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64759063
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCOCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3O2/c13-12(14,15)10-2-1-5-11(16,8-10)9-3-6-17-7-4-9/h9-10,16H,1-8H2
InChIKeyIPZCHKKQGMDIIM-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 64759063) is 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol is OC1(C2CCOCC2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is IPZCHKKQGMDIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c13-12(14,15)10-2-1-5-11(16,8-10)9-3-6-17-7-4-9/h9-10,16H,1-8H2.
What are the key properties of 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 252.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64759063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).