3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene

C19H20F2O — CID 91284684

IUPAC3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene
SMILESCCc1ccc2c(c1F)COc1c-2ccc(C(C)(C)C)c1F
InChIInChI=1S/C19H20F2O/c1-5-11-6-7-12-13-8-9-15(19(2,3)4)17(21)18(13)22-10-14(12)16(11)20/h6-9H,5,10H2,1-4H3
InChIKeyRLZVXXRBORHBEV-UHFFFAOYSA-N
MW302.36 g/mol
LogP5.38
Rot. Bonds1

About 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene

3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene (PubChem CID 91284684) has the molecular formula C19H20F2O and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene.

Molecular Properties

Compound Name3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene
PubChem CID91284684
Molecular FormulaC19H20F2O
Molecular Weight302.36 g/mol
Exact Mass302.15
IUPAC Name3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene
SMILESCCc1ccc2c(c1F)COc1c-2ccc(C(C)(C)C)c1F
InChIInChI=1S/C19H20F2O/c1-5-11-6-7-12-13-8-9-15(19(2,3)4)17(21)18(13)22-10-14(12)16(11)20/h6-9H,5,10H2,1-4H3
InChIKeyRLZVXXRBORHBEV-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene?
The IUPAC name of 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene (CID 91284684) is 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene.
What is the SMILES notation for 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene?
The canonical SMILES for 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene is CCc1ccc2c(c1F)COc1c-2ccc(C(C)(C)C)c1F.
What is the InChIKey of 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene?
The InChIKey is RLZVXXRBORHBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O/c1-5-11-6-7-12-13-8-9-15(19(2,3)4)17(21)18(13)22-10-14(12)16(11)20/h6-9H,5,10H2,1-4H3.
What are the key properties of 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene?
3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene has a molecular weight of 302.36 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-ethyl-4,7-difluoro-6H-benzo[c]chromene is sourced from PubChem (CID 91284684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).