4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol

C10H19FO2 — CID 176959290

IUPAC4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol
SMILESCC(C)CC1OC(C)C(C)(F)C1O
InChIInChI=1S/C10H19FO2/c1-6(2)5-8-9(12)10(4,11)7(3)13-8/h6-9,12H,5H2,1-4H3
InChIKeyIAJFOFSNGRQZBZ-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.91
Rot. Bonds2

About 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol

4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol (PubChem CID 176959290) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol.

Molecular Properties

Compound Name4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol
PubChem CID176959290
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol
SMILESCC(C)CC1OC(C)C(C)(F)C1O
InChIInChI=1S/C10H19FO2/c1-6(2)5-8-9(12)10(4,11)7(3)13-8/h6-9,12H,5H2,1-4H3
InChIKeyIAJFOFSNGRQZBZ-UHFFFAOYSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol?
The IUPAC name of 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol (CID 176959290) is 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol.
What is the SMILES notation for 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol?
The canonical SMILES for 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol is CC(C)CC1OC(C)C(C)(F)C1O.
What is the InChIKey of 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol?
The InChIKey is IAJFOFSNGRQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-6(2)5-8-9(12)10(4,11)7(3)13-8/h6-9,12H,5H2,1-4H3.
What are the key properties of 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol?
4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol has a molecular weight of 190.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,5-dimethyl-2-(2-methylpropyl)oxolan-3-ol is sourced from PubChem (CID 176959290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).