1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol

C8H11F3O2 — CID 102653956

IUPAC1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2,6,12H,1,3-5H2
InChIKeyWPNSHDCVJRXMIK-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.99
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol

1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 102653956) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID102653956
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H11F3O2/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2,6,12H,1,3-5H2
InChIKeyWPNSHDCVJRXMIK-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol (CID 102653956) is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is WPNSHDCVJRXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2,6,12H,1,3-5H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol?
1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 196.17 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 102653956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).