2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol

C10H9F3O2 — CID 16761719

IUPAC2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9/h1-4,7,9,14H,5H2
InChIKeyZEOOCEWBCFKVAA-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.43
Rot. Bonds

About 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol

2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 16761719) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID16761719
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C10H9F3O2/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9/h1-4,7,9,14H,5H2
InChIKeyZEOOCEWBCFKVAA-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol (CID 16761719) is 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(C(F)(F)F)Oc2ccccc21.
What is the InChIKey of 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZEOOCEWBCFKVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9/h1-4,7,9,14H,5H2.
What are the key properties of 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol?
2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 218.17 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 16761719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).