2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene

C23H22F2O — CID 67522625

IUPAC2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene
SMILESCCc1ccc2c(c1)OC(F)(F)c1c-2ccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C23H22F2O/c1-5-14-6-9-18-19-10-7-15-13-16(22(2,3)4)8-11-17(15)21(19)23(24,25)26-20(18)12-14/h6-13H,5H2,1-4H3
InChIKeyVYVMKJXODGSIMK-UHFFFAOYSA-N
MW352.42 g/mol
LogP6.81
Rot. Bonds1

About 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene

2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene (PubChem CID 67522625) has the molecular formula C23H22F2O and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene.

Molecular Properties

Compound Name2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene
PubChem CID67522625
Molecular FormulaC23H22F2O
Molecular Weight352.42 g/mol
Exact Mass352.16
IUPAC Name2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene
SMILESCCc1ccc2c(c1)OC(F)(F)c1c-2ccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C23H22F2O/c1-5-14-6-9-18-19-10-7-15-13-16(22(2,3)4)8-11-17(15)21(19)23(24,25)26-20(18)12-14/h6-13H,5H2,1-4H3
InChIKeyVYVMKJXODGSIMK-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene?
The IUPAC name of 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene (CID 67522625) is 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene.
What is the SMILES notation for 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene?
The canonical SMILES for 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene is CCc1ccc2c(c1)OC(F)(F)c1c-2ccc2cc(C(C)(C)C)ccc12.
What is the InChIKey of 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene?
The InChIKey is VYVMKJXODGSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2O/c1-5-14-6-9-18-19-10-7-15-13-16(22(2,3)4)8-11-17(15)21(19)23(24,25)26-20(18)12-14/h6-13H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene?
2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene has a molecular weight of 352.42 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene is sourced from PubChem (CID 67522625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).