8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene

C11H12ClFO — CID 59795393

IUPAC8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(c(Cl)c1F)OC(C)CC2
InChIInChI=1S/C11H12ClFO/c1-6-5-8-4-3-7(2)14-11(8)9(12)10(6)13/h5,7H,3-4H2,1-2H3
InChIKeyRMWJEWNBGVPEPU-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.50
Rot. Bonds

About 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene

8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene (PubChem CID 59795393) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
PubChem CID59795393
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(c(Cl)c1F)OC(C)CC2
InChIInChI=1S/C11H12ClFO/c1-6-5-8-4-3-7(2)14-11(8)9(12)10(6)13/h5,7H,3-4H2,1-2H3
InChIKeyRMWJEWNBGVPEPU-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene (CID 59795393) is 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene is Cc1cc2c(c(Cl)c1F)OC(C)CC2.
What is the InChIKey of 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene?
The InChIKey is RMWJEWNBGVPEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-6-5-8-4-3-7(2)14-11(8)9(12)10(6)13/h5,7H,3-4H2,1-2H3.
What are the key properties of 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene?
8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene has a molecular weight of 214.67 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).