[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

C11H11F3O2 — CID 73424795

IUPAC[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOCC1COc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-2,4,7,15H,3,5-6H2
InChIKeyVIRPRDCKRGJJQE-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.25
Rot. Bonds1

About [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (PubChem CID 73424795) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.

Molecular Properties

Compound Name[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
PubChem CID73424795
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOCC1COc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-2,4,7,15H,3,5-6H2
InChIKeyVIRPRDCKRGJJQE-UHFFFAOYSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol 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 [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The IUPAC name of [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (CID 73424795) is [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.
What is the SMILES notation for [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The canonical SMILES for [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is OCC1COc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The InChIKey is VIRPRDCKRGJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)9-2-1-8-3-7(5-15)6-16-10(8)4-9/h1-2,4,7,15H,3,5-6H2.
What are the key properties of [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol has a molecular weight of 232.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is sourced from PubChem (CID 73424795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).