1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol

C7H9F3O2 — CID 102653975

IUPAC1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCO1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)4-5(11)6-2-1-3-12-6/h2,5,11H,1,3-4H2
InChIKeyHXVRCOTVNUYOCS-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.60
Rot. Bonds2

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

1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 102653975) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID102653975
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1=CCCO1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)4-5(11)6-2-1-3-12-6/h2,5,11H,1,3-4H2
InChIKeyHXVRCOTVNUYOCS-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol (CID 102653975) is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is HXVRCOTVNUYOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)4-5(11)6-2-1-3-12-6/h2,5,11H,1,3-4H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol?
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 182.14 g/mol, XLogP of 1.60, 2 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)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 102653975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).