5-chloro-3,3-difluoro-2,4-dihydrochromene

C9H7ClF2O — CID 59606713

IUPAC5-chloro-3,3-difluoro-2,4-dihydrochromene
SMILESFC1(F)COc2cccc(Cl)c2C1
InChIInChI=1S/C9H7ClF2O/c10-7-2-1-3-8-6(7)4-9(11,12)5-13-8/h1-3H,4-5H2
InChIKeyZDKMVXVFELFMFU-UHFFFAOYSA-N
MW204.60 g/mol
LogP2.91
Rot. Bonds

About 5-chloro-3,3-difluoro-2,4-dihydrochromene

5-chloro-3,3-difluoro-2,4-dihydrochromene (PubChem CID 59606713) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 5-chloro-3,3-difluoro-2,4-dihydrochromene.

Molecular Properties

Compound Name5-chloro-3,3-difluoro-2,4-dihydrochromene
PubChem CID59606713
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name5-chloro-3,3-difluoro-2,4-dihydrochromene
SMILESFC1(F)COc2cccc(Cl)c2C1
InChIInChI=1S/C9H7ClF2O/c10-7-2-1-3-8-6(7)4-9(11,12)5-13-8/h1-3H,4-5H2
InChIKeyZDKMVXVFELFMFU-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3,3-difluoro-2,4-dihydrochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-difluoro-2,4-dihydrochromene?
The IUPAC name of 5-chloro-3,3-difluoro-2,4-dihydrochromene (CID 59606713) is 5-chloro-3,3-difluoro-2,4-dihydrochromene.
What is the SMILES notation for 5-chloro-3,3-difluoro-2,4-dihydrochromene?
The canonical SMILES for 5-chloro-3,3-difluoro-2,4-dihydrochromene is FC1(F)COc2cccc(Cl)c2C1.
What is the InChIKey of 5-chloro-3,3-difluoro-2,4-dihydrochromene?
The InChIKey is ZDKMVXVFELFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c10-7-2-1-3-8-6(7)4-9(11,12)5-13-8/h1-3H,4-5H2.
What are the key properties of 5-chloro-3,3-difluoro-2,4-dihydrochromene?
5-chloro-3,3-difluoro-2,4-dihydrochromene has a molecular weight of 204.60 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-difluoro-2,4-dihydrochromene is sourced from PubChem (CID 59606713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).