1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol

C14H23F3O2 — CID 65162409

IUPAC1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCCC2CCCO2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3O2/c15-14(16,17)11-4-1-7-13(18,10-11)8-2-5-12-6-3-9-19-12/h11-12,18H,1-10H2
InChIKeyPIUOEQIVMJNOPI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.82
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65162409) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65162409
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCCC2CCCO2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3O2/c15-14(16,17)11-4-1-7-13(18,10-11)8-2-5-12-6-3-9-19-12/h11-12,18H,1-10H2
InChIKeyPIUOEQIVMJNOPI-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 65162409) is 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol is OC1(CCCC2CCCO2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is PIUOEQIVMJNOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c15-14(16,17)11-4-1-7-13(18,10-11)8-2-5-12-6-3-9-19-12/h11-12,18H,1-10H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65162409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).