5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene

C10H9ClF2O — CID 71016985

IUPAC5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene
SMILESCc1ccc2c(c1Cl)CC(F)(F)CO2
InChIInChI=1S/C10H9ClF2O/c1-6-2-3-8-7(9(6)11)4-10(12,13)5-14-8/h2-3H,4-5H2,1H3
InChIKeyQTTMMJDYPZITJF-UHFFFAOYSA-N
MW218.63 g/mol
LogP3.22
Rot. Bonds

About 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene

5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene (PubChem CID 71016985) has the molecular formula C10H9ClF2O and a molecular weight of 218.63 g/mol. Its IUPAC name is 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene.

Molecular Properties

Compound Name5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene
PubChem CID71016985
Molecular FormulaC10H9ClF2O
Molecular Weight218.63 g/mol
Exact Mass218.03
IUPAC Name5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene
SMILESCc1ccc2c(c1Cl)CC(F)(F)CO2
InChIInChI=1S/C10H9ClF2O/c1-6-2-3-8-7(9(6)11)4-10(12,13)5-14-8/h2-3H,4-5H2,1H3
InChIKeyQTTMMJDYPZITJF-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene?
The IUPAC name of 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene (CID 71016985) is 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene.
What is the SMILES notation for 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene?
The canonical SMILES for 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene is Cc1ccc2c(c1Cl)CC(F)(F)CO2.
What is the InChIKey of 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene?
The InChIKey is QTTMMJDYPZITJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O/c1-6-2-3-8-7(9(6)11)4-10(12,13)5-14-8/h2-3H,4-5H2,1H3.
What are the key properties of 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene?
5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene has a molecular weight of 218.63 g/mol, XLogP of 3.22, 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-6-methyl-2,4-dihydrochromene is sourced from PubChem (CID 71016985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).