2-[3-(trifluoromethyl)phenyl]-2H-chromene

C16H11F3O — CID 90342869

IUPAC2-[3-(trifluoromethyl)phenyl]-2H-chromene
SMILESFC(F)(F)c1cccc(C2C=Cc3ccccc3O2)c1
InChIInChI=1S/C16H11F3O/c17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15/h1-10,15H
InChIKeyQQJAVRXAVQCBSL-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.85
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-2H-chromene

2-[3-(trifluoromethyl)phenyl]-2H-chromene (PubChem CID 90342869) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-2H-chromene.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-2H-chromene
PubChem CID90342869
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name2-[3-(trifluoromethyl)phenyl]-2H-chromene
SMILESFC(F)(F)c1cccc(C2C=Cc3ccccc3O2)c1
InChIInChI=1S/C16H11F3O/c17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15/h1-10,15H
InChIKeyQQJAVRXAVQCBSL-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2H-chromene?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2H-chromene (CID 90342869) is 2-[3-(trifluoromethyl)phenyl]-2H-chromene.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-2H-chromene?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-2H-chromene is FC(F)(F)c1cccc(C2C=Cc3ccccc3O2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-2H-chromene?
The InChIKey is QQJAVRXAVQCBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O/c17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15/h1-10,15H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-2H-chromene?
2-[3-(trifluoromethyl)phenyl]-2H-chromene has a molecular weight of 276.26 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-2H-chromene is sourced from PubChem (CID 90342869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).