5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane

C12H15ClF2O — CID 156843570

IUPAC5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane
SMILESCC.CC1c2c(Cl)cccc2OCC1(F)F
InChIInChI=1S/C10H9ClF2O.C2H6/c1-6-9-7(11)3-2-4-8(9)14-5-10(6,12)13;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyLSQSPIIZXRPZRO-UHFFFAOYSA-N
MW248.70 g/mol
LogP4.50
Rot. Bonds

About 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane

5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane (PubChem CID 156843570) has the molecular formula C12H15ClF2O and a molecular weight of 248.70 g/mol. Its IUPAC name is 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane.

Molecular Properties

Compound Name5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane
PubChem CID156843570
Molecular FormulaC12H15ClF2O
Molecular Weight248.70 g/mol
Exact Mass248.08
IUPAC Name5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane
SMILESCC.CC1c2c(Cl)cccc2OCC1(F)F
InChIInChI=1S/C10H9ClF2O.C2H6/c1-6-9-7(11)3-2-4-8(9)14-5-10(6,12)13;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyLSQSPIIZXRPZRO-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 54.50
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-4-methyl-2,4-dihydrochromene;ethane?
The IUPAC name of 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane (CID 156843570) is 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane.
What is the SMILES notation for 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane?
The canonical SMILES for 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane is CC.CC1c2c(Cl)cccc2OCC1(F)F.
What is the InChIKey of 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane?
The InChIKey is LSQSPIIZXRPZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O.C2H6/c1-6-9-7(11)3-2-4-8(9)14-5-10(6,12)13;1-2/h2-4,6H,5H2,1H3;1-2H3.
What are the key properties of 5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane?
5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane has a molecular weight of 248.70 g/mol, XLogP of 4.50, 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-4-methyl-2,4-dihydrochromene;ethane is sourced from PubChem (CID 156843570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).