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

C9H7ClF2O — CID 84721981

IUPAC5-chloro-4,4-difluoro-2,3-dihydrochromene
SMILESFC1(F)CCOc2cccc(Cl)c21
InChIInChI=1S/C9H7ClF2O/c10-6-2-1-3-7-8(6)9(11,12)4-5-13-7/h1-3H,4-5H2
InChIKeyPAEDJKPSGSTDMR-UHFFFAOYSA-N
MW204.60 g/mol
LogP3.21
Rot. Bonds

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

5-chloro-4,4-difluoro-2,3-dihydrochromene (PubChem CID 84721981) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 5-chloro-4,4-difluoro-2,3-dihydrochromene.

Molecular Properties

Compound Name5-chloro-4,4-difluoro-2,3-dihydrochromene
PubChem CID84721981
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name5-chloro-4,4-difluoro-2,3-dihydrochromene
SMILESFC1(F)CCOc2cccc(Cl)c21
InChIInChI=1S/C9H7ClF2O/c10-6-2-1-3-7-8(6)9(11,12)4-5-13-7/h1-3H,4-5H2
InChIKeyPAEDJKPSGSTDMR-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,4-difluoro-2,3-dihydrochromene?
The IUPAC name of 5-chloro-4,4-difluoro-2,3-dihydrochromene (CID 84721981) is 5-chloro-4,4-difluoro-2,3-dihydrochromene.
What is the SMILES notation for 5-chloro-4,4-difluoro-2,3-dihydrochromene?
The canonical SMILES for 5-chloro-4,4-difluoro-2,3-dihydrochromene is FC1(F)CCOc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-4,4-difluoro-2,3-dihydrochromene?
The InChIKey is PAEDJKPSGSTDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c10-6-2-1-3-7-8(6)9(11,12)4-5-13-7/h1-3H,4-5H2.
What are the key properties of 5-chloro-4,4-difluoro-2,3-dihydrochromene?
5-chloro-4,4-difluoro-2,3-dihydrochromene has a molecular weight of 204.60 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,4-difluoro-2,3-dihydrochromene is sourced from PubChem (CID 84721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).