4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene

C32H28F6O — CID 143772889

About 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene

4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene (PubChem CID 143772889) has the molecular formula C32H28F6O and a molecular weight of 542.56 g/mol. Its IUPAC name is 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene.

Molecular Properties

• Compound Name: 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene
• PubChem CID: 143772889
• Molecular Formula: C32H28F6O
• Molecular Weight: 542.56 g/mol
• Exact Mass: 542.20
• IUPAC Name: 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene
• SMILES: C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C1=C(F)c2c(F)cc(C)cc2CC1
• InChI: InChI=1S/C32H28F6O/c1-9-14-39-23(8)31(37)29(35)21(6)19(4)11-10-18(3)20(5)28(34)30(36)22(7)25-13-12-24-15-17(2)16-26(33)27(24)32(25)38/h9-11,15-16H,1,3-8,12-14H2,2H3/b11-10-,30-28-,31-29-
• InChIKey: HBJRPOKIZJMBSU-LYJAVVILSA-N
• XLogP: 10.12
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.56
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene?

The IUPAC name of 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene (CID 143772889) is 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene.

What is the SMILES notation for 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene?

The canonical SMILES for 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene is C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C1=C(F)c2c(F)cc(C)cc2CC1.

What is the InChIKey of 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene?

The InChIKey is HBJRPOKIZJMBSU-LYJAVVILSA-N. The full InChI is InChI=1S/C32H28F6O/c1-9-14-39-23(8)31(37)29(35)21(6)19(4)11-10-18(3)20(5)28(34)30(36)22(7)25-13-12-24-15-17(2)16-26(33)27(24)32(25)38/h9-11,15-16H,1,3-8,12-14H2,2H3/b11-10-,30-28-,31-29-.

What are the key properties of 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene?

4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene has a molecular weight of 542.56 g/mol, XLogP of 10.12, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene is sourced from PubChem (CID 143772889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).