2-(trifluoromethyl)-3,4-dihydro-2H-chromene

C10H9F3O — CID 58660733

IUPAC2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESFC(F)(F)C1CCc2ccccc2O1
InChIInChI=1S/C10H9F3O/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2
InChIKeyREHIWMADQYWSAL-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.94
Rot. Bonds

About 2-(trifluoromethyl)-3,4-dihydro-2H-chromene

2-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 58660733) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID58660733
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESFC(F)(F)C1CCc2ccccc2O1
InChIInChI=1S/C10H9F3O/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2
InChIKeyREHIWMADQYWSAL-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7107
Dihydrobenzofuran
CID 10329
Xanthydrol
CID 72861
Benzopyran
CID 9211
Benzyl Phenyl Ether
CID 70352
2,3-Dihydro-2-methylbenzofuran
CID 101130
2H-1-Benzopyran-2-thione
CID 19890
Flavan
CID 94156
Chroman-4-ol
CID 92890
Allyl o-tolyl ether
CID 136749
p-Ethylphenetole
CID 74107
Benzene, 1,1'-oxybis[methyl-
CID 78462

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 58660733) is 2-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(trifluoromethyl)-3,4-dihydro-2H-chromene is FC(F)(F)C1CCc2ccccc2O1.
What is the InChIKey of 2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is REHIWMADQYWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2.
What are the key properties of 2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
2-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 202.18 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).