2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol

C10H15F3O2 — CID 102650816

IUPAC2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C10H15F3O2/c1-9(14,8-4-2-7-15-8)5-3-6-10(11,12)13/h4,14H,2-3,5-7H2,1H3
InChIKeyAMJLNSNVJAKPDM-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.77
Rot. Bonds4

About 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol

2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 102650816) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID102650816
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C10H15F3O2/c1-9(14,8-4-2-7-15-8)5-3-6-10(11,12)13/h4,14H,2-3,5-7H2,1H3
InChIKeyAMJLNSNVJAKPDM-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol (CID 102650816) is 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol is CC(O)(CCCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is AMJLNSNVJAKPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-9(14,8-4-2-7-15-8)5-3-6-10(11,12)13/h4,14H,2-3,5-7H2,1H3.
What are the key properties of 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol?
2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 224.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 102650816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).