5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene

C11H12ClFO — CID 70823938

IUPAC5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene
SMILESCCc1cc(F)c2c(c1Cl)CCCO2
InChIInChI=1S/C11H12ClFO/c1-2-7-6-9(13)11-8(10(7)12)4-3-5-14-11/h6H,2-5H2,1H3
InChIKeyVCQVCLNOIANSCZ-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.37
Rot. Bonds1

About 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene

5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene (PubChem CID 70823938) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene
PubChem CID70823938
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene
SMILESCCc1cc(F)c2c(c1Cl)CCCO2
InChIInChI=1S/C11H12ClFO/c1-2-7-6-9(13)11-8(10(7)12)4-3-5-14-11/h6H,2-5H2,1H3
InChIKeyVCQVCLNOIANSCZ-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene (CID 70823938) is 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene is CCc1cc(F)c2c(c1Cl)CCCO2.
What is the InChIKey of 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene?
The InChIKey is VCQVCLNOIANSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-2-7-6-9(13)11-8(10(7)12)4-3-5-14-11/h6H,2-5H2,1H3.
What are the key properties of 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene?
5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene has a molecular weight of 214.67 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 70823938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).