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

C15H25F3O2 — CID 105104877

IUPAC4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
SMILESOC(CCCC1CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3O2/c16-15(17,18)12-8-6-11(7-9-12)14(19)5-1-3-13-4-2-10-20-13/h11-14,19H,1-10H2
InChIKeyPWVOUSCNWOGXLI-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.07
Rot. Bonds5

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

4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol (PubChem CID 105104877) has the molecular formula C15H25F3O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
PubChem CID105104877
Molecular FormulaC15H25F3O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
SMILESOC(CCCC1CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3O2/c16-15(17,18)12-8-6-11(7-9-12)14(19)5-1-3-13-4-2-10-20-13/h11-14,19H,1-10H2
InChIKeyPWVOUSCNWOGXLI-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol
CID 115808964
3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
CID 105105032
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65166942
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol?
The IUPAC name of 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol (CID 105104877) is 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol.
What is the SMILES notation for 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol?
The canonical SMILES for 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol is OC(CCCC1CCCO1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol?
The InChIKey is PWVOUSCNWOGXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O2/c16-15(17,18)12-8-6-11(7-9-12)14(19)5-1-3-13-4-2-10-20-13/h11-14,19H,1-10H2.
What are the key properties of 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol?
4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol is sourced from PubChem (CID 105104877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).