2,2-difluoro-3,4-dihydrochromene

C9H8F2O — CID 14418574

IUPAC2,2-difluoro-3,4-dihydrochromene
SMILESFC1(F)CCc2ccccc2O1
InChIInChI=1S/C9H8F2O/c10-9(11)6-5-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2
InChIKeyICCGDOXSRPJAQR-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.60
Rot. Bonds

About 2,2-difluoro-3,4-dihydrochromene

2,2-difluoro-3,4-dihydrochromene (PubChem CID 14418574) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 2,2-difluoro-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2-difluoro-3,4-dihydrochromene
PubChem CID14418574
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name2,2-difluoro-3,4-dihydrochromene
SMILESFC1(F)CCc2ccccc2O1
InChIInChI=1S/C9H8F2O/c10-9(11)6-5-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2
InChIKeyICCGDOXSRPJAQR-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4-dihydrochromene?
The IUPAC name of 2,2-difluoro-3,4-dihydrochromene (CID 14418574) is 2,2-difluoro-3,4-dihydrochromene.
What is the SMILES notation for 2,2-difluoro-3,4-dihydrochromene?
The canonical SMILES for 2,2-difluoro-3,4-dihydrochromene is FC1(F)CCc2ccccc2O1.
What is the InChIKey of 2,2-difluoro-3,4-dihydrochromene?
The InChIKey is ICCGDOXSRPJAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-9(11)6-5-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2.
What are the key properties of 2,2-difluoro-3,4-dihydrochromene?
2,2-difluoro-3,4-dihydrochromene has a molecular weight of 170.16 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4-dihydrochromene is sourced from PubChem (CID 14418574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).