6,8-difluoro-3,4-dihydro-1H-isochromene

C9H8F2O — CID 67072865

IUPAC6,8-difluoro-3,4-dihydro-1H-isochromene
SMILESFc1cc(F)c2c(c1)CCOC2
InChIInChI=1S/C9H8F2O/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h3-4H,1-2,5H2
InChIKeyRHWIHWHAKFEJQJ-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.04
Rot. Bonds

About 6,8-difluoro-3,4-dihydro-1H-isochromene

6,8-difluoro-3,4-dihydro-1H-isochromene (PubChem CID 67072865) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 6,8-difluoro-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name6,8-difluoro-3,4-dihydro-1H-isochromene
PubChem CID67072865
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name6,8-difluoro-3,4-dihydro-1H-isochromene
SMILESFc1cc(F)c2c(c1)CCOC2
InChIInChI=1S/C9H8F2O/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h3-4H,1-2,5H2
InChIKeyRHWIHWHAKFEJQJ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,4-dihydro-1H-isochromene?
The IUPAC name of 6,8-difluoro-3,4-dihydro-1H-isochromene (CID 67072865) is 6,8-difluoro-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 6,8-difluoro-3,4-dihydro-1H-isochromene?
The canonical SMILES for 6,8-difluoro-3,4-dihydro-1H-isochromene is Fc1cc(F)c2c(c1)CCOC2.
What is the InChIKey of 6,8-difluoro-3,4-dihydro-1H-isochromene?
The InChIKey is RHWIHWHAKFEJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h3-4H,1-2,5H2.
What are the key properties of 6,8-difluoro-3,4-dihydro-1H-isochromene?
6,8-difluoro-3,4-dihydro-1H-isochromene has a molecular weight of 170.16 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 67072865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).