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

C10H10F2O — CID 84718811

IUPAC3-(difluoromethyl)-3,4-dihydro-2H-chromene
SMILESFC(F)C1COc2ccccc2C1
InChIInChI=1S/C10H10F2O/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8,10H,5-6H2
InChIKeyBHNZCEFXVBOGJN-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.50
Rot. Bonds1

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

3-(difluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 84718811) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-(difluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID84718811
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name3-(difluoromethyl)-3,4-dihydro-2H-chromene
SMILESFC(F)C1COc2ccccc2C1
InChIInChI=1S/C10H10F2O/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8,10H,5-6H2
InChIKeyBHNZCEFXVBOGJN-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 3-(difluoromethyl)-3,4-dihydro-2H-chromene (CID 84718811) is 3-(difluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-(difluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-(difluoromethyl)-3,4-dihydro-2H-chromene is FC(F)C1COc2ccccc2C1.
What is the InChIKey of 3-(difluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is BHNZCEFXVBOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8,10H,5-6H2.
What are the key properties of 3-(difluoromethyl)-3,4-dihydro-2H-chromene?
3-(difluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 184.19 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 84718811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).