5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene

C10H9ClF2O — CID 138535668

IUPAC5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene
SMILESCc1ccc(Cl)c2c1OCCC2(F)F
InChIInChI=1S/C10H9ClF2O/c1-6-2-3-7(11)8-9(6)14-5-4-10(8,12)13/h2-3H,4-5H2,1H3
InChIKeySXIBQEYUZFGNSG-UHFFFAOYSA-N
MW218.63 g/mol
LogP3.52
Rot. Bonds

About 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene

5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene (PubChem CID 138535668) has the molecular formula C10H9ClF2O and a molecular weight of 218.63 g/mol. Its IUPAC name is 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene.

Molecular Properties

Compound Name5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene
PubChem CID138535668
Molecular FormulaC10H9ClF2O
Molecular Weight218.63 g/mol
Exact Mass218.03
IUPAC Name5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene
SMILESCc1ccc(Cl)c2c1OCCC2(F)F
InChIInChI=1S/C10H9ClF2O/c1-6-2-3-7(11)8-9(6)14-5-4-10(8,12)13/h2-3H,4-5H2,1H3
InChIKeySXIBQEYUZFGNSG-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene?
The IUPAC name of 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene (CID 138535668) is 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene.
What is the SMILES notation for 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene?
The canonical SMILES for 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene is Cc1ccc(Cl)c2c1OCCC2(F)F.
What is the InChIKey of 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene?
The InChIKey is SXIBQEYUZFGNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O/c1-6-2-3-7(11)8-9(6)14-5-4-10(8,12)13/h2-3H,4-5H2,1H3.
What are the key properties of 5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene?
5-chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene has a molecular weight of 218.63 g/mol, XLogP of 3.52, 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-8-methyl-2,3-dihydrochromene is sourced from PubChem (CID 138535668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).