1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene

C20H18F2 — CID 18940001

IUPAC1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene
SMILESCCc1ccc(-c2ccccc2C2(F)C=CCC=C2F)cc1
InChIInChI=1S/C20H18F2/c1-2-15-10-12-16(13-11-15)17-7-3-4-8-18(17)20(22)14-6-5-9-19(20)21/h3-4,6-14H,2,5H2,1H3
InChIKeyNBFXUOBGCOHDQN-UHFFFAOYSA-N
MW296.36 g/mol
LogP5.89
Rot. Bonds3

About 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene

1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene (PubChem CID 18940001) has the molecular formula C20H18F2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene.

Molecular Properties

Compound Name1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene
PubChem CID18940001
Molecular FormulaC20H18F2
Molecular Weight296.36 g/mol
Exact Mass296.14
IUPAC Name1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene
SMILESCCc1ccc(-c2ccccc2C2(F)C=CCC=C2F)cc1
InChIInChI=1S/C20H18F2/c1-2-15-10-12-16(13-11-15)17-7-3-4-8-18(17)20(22)14-6-5-9-19(20)21/h3-4,6-14H,2,5H2,1H3
InChIKeyNBFXUOBGCOHDQN-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.36
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene?
The IUPAC name of 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene (CID 18940001) is 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene.
What is the SMILES notation for 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene?
The canonical SMILES for 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene is CCc1ccc(-c2ccccc2C2(F)C=CCC=C2F)cc1.
What is the InChIKey of 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene?
The InChIKey is NBFXUOBGCOHDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2/c1-2-15-10-12-16(13-11-15)17-7-3-4-8-18(17)20(22)14-6-5-9-19(20)21/h3-4,6-14H,2,5H2,1H3.
What are the key properties of 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene?
1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene has a molecular weight of 296.36 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene is sourced from PubChem (CID 18940001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).