4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol

C11H19F3O2 — CID 177218249

IUPAC4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCCCCC1C(C)C(O)OC1(C)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-4-5-6-8-7(2)9(15)16-10(8,3)11(12,13)14/h7-9,15H,4-6H2,1-3H3
InChIKeyICKDCBSPRGARLO-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.10
Rot. Bonds3

About 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol

4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (PubChem CID 177218249) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
PubChem CID177218249
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCCCCC1C(C)C(O)OC1(C)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-4-5-6-8-7(2)9(15)16-10(8,3)11(12,13)14/h7-9,15H,4-6H2,1-3H3
InChIKeyICKDCBSPRGARLO-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(R)-[3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluorocyclopentyl]-hydroxymethoxy]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 88953163
1-(2-Ethylhexoxy)-4,4,4-trifluoro-2,3-dimethylbutan-1-ol
CID 117755298
(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-ol
CID 118594425
(2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol
CID 122450194
1-(1-Ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol
CID 123182639
8,8-Difluoro-1-oxaspiro[4.5]decan-2-ol
CID 140274307
3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
CID 177218006
(4S,5R)-3,4,5-trimethyl-5-(trifluoromethyl)oxolan-2-ol
CID 177360194
(4S,5R)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
CID 177360213
5,5-Dimethyl-4-propyltetrahydro-2-furanol
CID 11228944
5,5-Diethyl-3,4-dimethyloxolan-2-ol
CID 90820969
4-Methyl-1-oxaspiro[4.5]decan-2-ol
CID 12247900

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (CID 177218249) is 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is CCCCC1C(C)C(O)OC1(C)C(F)(F)F.
What is the InChIKey of 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The InChIKey is ICKDCBSPRGARLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-4-5-6-8-7(2)9(15)16-10(8,3)11(12,13)14/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol has a molecular weight of 240.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 177218249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).