1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene

C21H15F3 — CID 162548364

IUPAC1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene
SMILESC=Cc1cc(-c2ccc3ccccc3c2C=C)ccc1C(F)(F)F
InChIInChI=1S/C21H15F3/c1-3-14-13-16(10-12-20(14)21(22,23)24)19-11-9-15-7-5-6-8-18(15)17(19)4-2/h3-13H,1-2H2
InChIKeyOWSQHXVOFDDXQD-UHFFFAOYSA-N
MW324.35 g/mol
LogP6.81
Rot. Bonds3

About 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene

1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene (PubChem CID 162548364) has the molecular formula C21H15F3 and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene.

Molecular Properties

Compound Name1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene
PubChem CID162548364
Molecular FormulaC21H15F3
Molecular Weight324.35 g/mol
Exact Mass324.11
IUPAC Name1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene
SMILESC=Cc1cc(-c2ccc3ccccc3c2C=C)ccc1C(F)(F)F
InChIInChI=1S/C21H15F3/c1-3-14-13-16(10-12-20(14)21(22,23)24)19-11-9-15-7-5-6-8-18(15)17(19)4-2/h3-13H,1-2H2
InChIKeyOWSQHXVOFDDXQD-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.35
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene
CID 143856218
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
CID 143742939
2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene
CID 167531102
1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
CID 144673774
2,2,2-trifluoroethyl 2,3-bis(ethenyl)naphthalene-1-carboxylate
CID 151561325
1,2-bis(ethenyl)-7-phenylnaphthalene
CID 145141222
1-[2,3,5,6-tetrakis(ethenyl)phenyl]naphthalene
CID 123541767
2,3-bis(ethenyl)phenanthrene
CID 144756778
2-(2-ethenylphenyl)anthracene
CID 19426140
9-[4-[3-[4-[3,4-bis(ethenyl)naphthalen-1-yl]-2-methylphenyl]phenyl]-3-methylphenyl]phenanthrene
CID 143742640
1-ethenyl-2-(4-pentylphenyl)tetracene
CID 173173804

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene?
The IUPAC name of 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene (CID 162548364) is 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene.
What is the SMILES notation for 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene?
The canonical SMILES for 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene is C=Cc1cc(-c2ccc3ccccc3c2C=C)ccc1C(F)(F)F.
What is the InChIKey of 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene?
The InChIKey is OWSQHXVOFDDXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3/c1-3-14-13-16(10-12-20(14)21(22,23)24)19-11-9-15-7-5-6-8-18(15)17(19)4-2/h3-13H,1-2H2.
What are the key properties of 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene?
1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene has a molecular weight of 324.35 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[3-ethenyl-4-(trifluoromethyl)phenyl]naphthalene is sourced from PubChem (CID 162548364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).