2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene

C23H22F4 — CID 139563176

IUPAC2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene
SMILESC=C(CCC(=C)c1ccc2c(c1)CC(F)(F)C(F)(F)C2)c1cccc(C)c1
InChIInChI=1S/C23H22F4/c1-15-5-4-6-18(11-15)16(2)7-8-17(3)19-9-10-20-13-22(24,25)23(26,27)14-21(20)12-19/h4-6,9-12H,2-3,7-8,13-14H2,1H3
InChIKeyHGBXXNRFWYHPPB-UHFFFAOYSA-N
MW374.42 g/mol
LogP6.87
Rot. Bonds5

About 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene

2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene (PubChem CID 139563176) has the molecular formula C23H22F4 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene
PubChem CID139563176
Molecular FormulaC23H22F4
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene
SMILESC=C(CCC(=C)c1ccc2c(c1)CC(F)(F)C(F)(F)C2)c1cccc(C)c1
InChIInChI=1S/C23H22F4/c1-15-5-4-6-18(11-15)16(2)7-8-17(3)19-9-10-20-13-22(24,25)23(26,27)14-21(20)12-19/h4-6,9-12H,2-3,7-8,13-14H2,1H3
InChIKeyHGBXXNRFWYHPPB-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene?
The IUPAC name of 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene (CID 139563176) is 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene.
What is the SMILES notation for 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene?
The canonical SMILES for 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene is C=C(CCC(=C)c1ccc2c(c1)CC(F)(F)C(F)(F)C2)c1cccc(C)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene?
The InChIKey is HGBXXNRFWYHPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4/c1-15-5-4-6-18(11-15)16(2)7-8-17(3)19-9-10-20-13-22(24,25)23(26,27)14-21(20)12-19/h4-6,9-12H,2-3,7-8,13-14H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene?
2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene has a molecular weight of 374.42 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene is sourced from PubChem (CID 139563176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).