5,7-difluoro-3,4-dihydro-2H-chromene

C9H8F2O — CID 83397396

IUPAC5,7-difluoro-3,4-dihydro-2H-chromene
SMILESFc1cc(F)c2c(c1)OCCC2
InChIInChI=1S/C9H8F2O/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5H,1-3H2
InChIKeyABDWUGVIBSTSBN-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.29
Rot. Bonds

About 5,7-difluoro-3,4-dihydro-2H-chromene

5,7-difluoro-3,4-dihydro-2H-chromene (PubChem CID 83397396) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 5,7-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5,7-difluoro-3,4-dihydro-2H-chromene
PubChem CID83397396
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name5,7-difluoro-3,4-dihydro-2H-chromene
SMILESFc1cc(F)c2c(c1)OCCC2
InChIInChI=1S/C9H8F2O/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5H,1-3H2
InChIKeyABDWUGVIBSTSBN-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 5,7-difluoro-3,4-dihydro-2H-chromene (CID 83397396) is 5,7-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5,7-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 5,7-difluoro-3,4-dihydro-2H-chromene is Fc1cc(F)c2c(c1)OCCC2.
What is the InChIKey of 5,7-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is ABDWUGVIBSTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5H,1-3H2.
What are the key properties of 5,7-difluoro-3,4-dihydro-2H-chromene?
5,7-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 170.16 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 83397396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).