3,3-difluoro-4-methylidene-2H-chromene

C10H8F2O — CID 122364827

IUPAC3,3-difluoro-4-methylidene-2H-chromene
SMILESC=C1c2ccccc2OCC1(F)F
InChIInChI=1S/C10H8F2O/c1-7-8-4-2-3-5-9(8)13-6-10(7,11)12/h2-5H,1,6H2
InChIKeyDAXPBBPVKZCDCN-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.73
Rot. Bonds

About 3,3-difluoro-4-methylidene-2H-chromene

3,3-difluoro-4-methylidene-2H-chromene (PubChem CID 122364827) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 3,3-difluoro-4-methylidene-2H-chromene.

Molecular Properties

Compound Name3,3-difluoro-4-methylidene-2H-chromene
PubChem CID122364827
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name3,3-difluoro-4-methylidene-2H-chromene
SMILESC=C1c2ccccc2OCC1(F)F
InChIInChI=1S/C10H8F2O/c1-7-8-4-2-3-5-9(8)13-6-10(7,11)12/h2-5H,1,6H2
InChIKeyDAXPBBPVKZCDCN-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Xanthene
CID 7107
2-Methylanisole
CID 33637
Dihydrobenzofuran
CID 10329
Benzopyran
CID 9211
2-Vinylanisole
CID 61153
Benzyl Phenyl Ether
CID 70352
2,3-Dihydro-2-methylbenzofuran
CID 101130
2H-1-Benzopyran-2-thione
CID 19890
Benzyl p-tolyl ether
CID 70036
Flavan
CID 94156
2H-1-Benzopyran-3-carbonitrile
CID 42438
2-Methoxybenzyl ethyl ether
CID 105179

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylidene-2H-chromene?
The IUPAC name of 3,3-difluoro-4-methylidene-2H-chromene (CID 122364827) is 3,3-difluoro-4-methylidene-2H-chromene.
What is the SMILES notation for 3,3-difluoro-4-methylidene-2H-chromene?
The canonical SMILES for 3,3-difluoro-4-methylidene-2H-chromene is C=C1c2ccccc2OCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylidene-2H-chromene?
The InChIKey is DAXPBBPVKZCDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c1-7-8-4-2-3-5-9(8)13-6-10(7,11)12/h2-5H,1,6H2.
What are the key properties of 3,3-difluoro-4-methylidene-2H-chromene?
3,3-difluoro-4-methylidene-2H-chromene has a molecular weight of 182.17 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylidene-2H-chromene is sourced from PubChem (CID 122364827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).