6,8-difluoro-2H-chromene

C9H6F2O — CID 45043272

IUPAC6,8-difluoro-2H-chromene
SMILESFc1cc(F)c2c(c1)C=CCO2
InChIInChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2
InChIKeyDRQKJKGKLYCHHB-UHFFFAOYSA-N
MW168.14 g/mol
LogP2.37
Rot. Bonds

About 6,8-difluoro-2H-chromene

6,8-difluoro-2H-chromene (PubChem CID 45043272) has the molecular formula C9H6F2O and a molecular weight of 168.14 g/mol. Its IUPAC name is 6,8-difluoro-2H-chromene.

Molecular Properties

Compound Name6,8-difluoro-2H-chromene
PubChem CID45043272
Molecular FormulaC9H6F2O
Molecular Weight168.14 g/mol
Exact Mass168.04
IUPAC Name6,8-difluoro-2H-chromene
SMILESFc1cc(F)c2c(c1)C=CCO2
InChIInChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2
InChIKeyDRQKJKGKLYCHHB-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2H-chromene?
The IUPAC name of 6,8-difluoro-2H-chromene (CID 45043272) is 6,8-difluoro-2H-chromene.
What is the SMILES notation for 6,8-difluoro-2H-chromene?
The canonical SMILES for 6,8-difluoro-2H-chromene is Fc1cc(F)c2c(c1)C=CCO2.
What is the InChIKey of 6,8-difluoro-2H-chromene?
The InChIKey is DRQKJKGKLYCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2.
What are the key properties of 6,8-difluoro-2H-chromene?
6,8-difluoro-2H-chromene has a molecular weight of 168.14 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2H-chromene is sourced from PubChem (CID 45043272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).