4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol

C16H20F4O2 — CID 71098804

IUPAC4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol
SMILESCC(C)(CC(C)(CO)C(F)(F)F)c1cc(F)cc2c1OCC2
InChIInChI=1S/C16H20F4O2/c1-14(2,8-15(3,9-21)16(18,19)20)12-7-11(17)6-10-4-5-22-13(10)12/h6-7,21H,4-5,8-9H2,1-3H3
InChIKeyYLZWYDNHYQTDKJ-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.99
Rot. Bonds4

About 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol

4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol (PubChem CID 71098804) has the molecular formula C16H20F4O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol
PubChem CID71098804
Molecular FormulaC16H20F4O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol
SMILESCC(C)(CC(C)(CO)C(F)(F)F)c1cc(F)cc2c1OCC2
InChIInChI=1S/C16H20F4O2/c1-14(2,8-15(3,9-21)16(18,19)20)12-7-11(17)6-10-4-5-22-13(10)12/h6-7,21H,4-5,8-9H2,1-3H3
InChIKeyYLZWYDNHYQTDKJ-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-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 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol (CID 71098804) is 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol is CC(C)(CC(C)(CO)C(F)(F)F)c1cc(F)cc2c1OCC2.
What is the InChIKey of 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is YLZWYDNHYQTDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4O2/c1-14(2,8-15(3,9-21)16(18,19)20)12-7-11(17)6-10-4-5-22-13(10)12/h6-7,21H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol?
4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 320.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 71098804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).