1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol

C10H17F3O2 — CID 139601831

IUPAC1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol
SMILESCCCCC1CCOC1C(O)(F)C(F)F
InChIInChI=1S/C10H17F3O2/c1-2-3-4-7-5-6-15-8(7)10(13,14)9(11)12/h7-9,14H,2-6H2,1H3
InChIKeyWARRDZZCQDUCIK-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds5

About 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol

1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol (PubChem CID 139601831) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol
PubChem CID139601831
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol
SMILESCCCCC1CCOC1C(O)(F)C(F)F
InChIInChI=1S/C10H17F3O2/c1-2-3-4-7-5-6-15-8(7)10(13,14)9(11)12/h7-9,14H,2-6H2,1H3
InChIKeyWARRDZZCQDUCIK-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol?
The IUPAC name of 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol (CID 139601831) is 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol?
The canonical SMILES for 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol is CCCCC1CCOC1C(O)(F)C(F)F.
What is the InChIKey of 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol?
The InChIKey is WARRDZZCQDUCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-2-3-4-7-5-6-15-8(7)10(13,14)9(11)12/h7-9,14H,2-6H2,1H3.
What are the key properties of 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol?
1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol has a molecular weight of 226.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol is sourced from PubChem (CID 139601831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).