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

C11H17F3O2 — CID 64756509

IUPAC1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCOC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3O2/c12-11(13,14)8-1-4-10(15,5-2-8)9-3-6-16-7-9/h8-9,15H,1-7H2
InChIKeyBSTZPYRWYNZLIE-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.51
Rot. Bonds1

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

1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756509) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756509
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCOC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3O2/c12-11(13,14)8-1-4-10(15,5-2-8)9-3-6-16-7-9/h8-9,15H,1-7H2
InChIKeyBSTZPYRWYNZLIE-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756509) is 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1(C2CCOC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BSTZPYRWYNZLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c12-11(13,14)8-1-4-10(15,5-2-8)9-3-6-16-7-9/h8-9,15H,1-7H2.
What are the key properties of 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 238.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).