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

C12H15ClF2O — CID 143804436

IUPAC5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane
SMILESCC.Cc1ccc2c(c1Cl)CC(F)(F)CO2
InChIInChI=1S/C10H9ClF2O.C2H6/c1-6-2-3-8-7(9(6)11)4-10(12,13)5-14-8;1-2/h2-3H,4-5H2,1H3;1-2H3
InChIKeyWNVGFKPXLKDNGV-UHFFFAOYSA-N
MW248.70 g/mol
LogP4.24
Rot. Bonds

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

5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane (PubChem CID 143804436) has the molecular formula C12H15ClF2O and a molecular weight of 248.70 g/mol. Its IUPAC name is 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane.

Molecular Properties

Compound Name5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane
PubChem CID143804436
Molecular FormulaC12H15ClF2O
Molecular Weight248.70 g/mol
Exact Mass248.08
IUPAC Name5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane
SMILESCC.Cc1ccc2c(c1Cl)CC(F)(F)CO2
InChIInChI=1S/C10H9ClF2O.C2H6/c1-6-2-3-8-7(9(6)11)4-10(12,13)5-14-8;1-2/h2-3H,4-5H2,1H3;1-2H3
InChIKeyWNVGFKPXLKDNGV-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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;ethane?
The IUPAC name of 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane (CID 143804436) is 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane.
What is the SMILES notation for 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane?
The canonical SMILES for 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane is CC.Cc1ccc2c(c1Cl)CC(F)(F)CO2.
What is the InChIKey of 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane?
The InChIKey is WNVGFKPXLKDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O.C2H6/c1-6-2-3-8-7(9(6)11)4-10(12,13)5-14-8;1-2/h2-3H,4-5H2,1H3;1-2H3.
What are the key properties of 5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane?
5-chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane has a molecular weight of 248.70 g/mol, XLogP of 4.24, 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;ethane is sourced from PubChem (CID 143804436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).