1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene

C16H19F — CID 71001607

IUPAC1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene
SMILESCCc1ccc(C2=CCC(F)C=C2)cc1CC
InChIInChI=1S/C16H19F/c1-3-12-5-6-15(11-13(12)4-2)14-7-9-16(17)10-8-14/h5-9,11,16H,3-4,10H2,1-2H3
InChIKeyJIMILOVSYXFPJA-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.49
Rot. Bonds3

About 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene

1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene (PubChem CID 71001607) has the molecular formula C16H19F and a molecular weight of 230.33 g/mol. Its IUPAC name is 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene
PubChem CID71001607
Molecular FormulaC16H19F
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene
SMILESCCc1ccc(C2=CCC(F)C=C2)cc1CC
InChIInChI=1S/C16H19F/c1-3-12-5-6-15(11-13(12)4-2)14-7-9-16(17)10-8-14/h5-9,11,16H,3-4,10H2,1-2H3
InChIKeyJIMILOVSYXFPJA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

O-Xylene
CID 7237
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864
2-Methylstyrene
CID 11904
1,6-Dimethylnaphthalene
CID 11328
4-Methylbiphenyl
CID 12566

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene (CID 71001607) is 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene is CCc1ccc(C2=CCC(F)C=C2)cc1CC.
What is the InChIKey of 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is JIMILOVSYXFPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F/c1-3-12-5-6-15(11-13(12)4-2)14-7-9-16(17)10-8-14/h5-9,11,16H,3-4,10H2,1-2H3.
What are the key properties of 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene?
1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 230.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-(4-fluorocyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 71001607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).