3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol

C14H23F3O2 — CID 105105040

IUPAC3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESOC(CCC1CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3O2/c15-14(16,17)11-5-3-10(4-6-11)13(18)8-7-12-2-1-9-19-12/h10-13,18H,1-9H2
InChIKeyIZILTAQKACSPQF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.68
Rot. Bonds4

About 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol

3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 105105040) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID105105040
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESOC(CCC1CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3O2/c15-14(16,17)11-5-3-10(4-6-11)13(18)8-7-12-2-1-9-19-12/h10-13,18H,1-9H2
InChIKeyIZILTAQKACSPQF-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 105105040) is 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol is OC(CCC1CCCO1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is IZILTAQKACSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c15-14(16,17)11-5-3-10(4-6-11)13(18)8-7-12-2-1-9-19-12/h10-13,18H,1-9H2.
What are the key properties of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 105105040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).