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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3,3-difluoro-4-propan-2-yl-2,4-dihydrochromene
CID 166752785
3,3-difluoro-4-methyl-2,4-dihydrochromene
CID 156843702
(4R)-4-(2-chloro-6-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188497
5-chloro-3,3-difluoro-2,4-dihydrochromene
CID 59606713
(4S)-4-(2,6-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187548
(4S)-4-(2-chloro-6-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187712
4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 144861861
(4R)-4-(3,6-dichloro-2-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171188814
9-chloro-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82230621
4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol
CID 163222163
(2S,3R,4S,5R,6S)-6-(2,6-dichlorophenyl)-2,3,5-trimethyloxane-2,4-diol
CID 139258977
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175

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).