2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene

C17H20F2 — CID 143114123

IUPAC2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene
SMILESCC1=C(F)C(F)=C(C)CC=C1.Cc1ccc(C)cc1
InChIInChI=1S/C9H10F2.C8H10/c1-6-4-3-5-7(2)9(11)8(6)10;1-7-3-5-8(2)6-4-7/h3-4H,5H2,1-2H3;3-6H,1-2H3
InChIKeyULAIKLRBJSUIFM-UHFFFAOYSA-N
MW262.34 g/mol
LogP5.74
Rot. Bonds

About 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene

2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene (PubChem CID 143114123) has the molecular formula C17H20F2 and a molecular weight of 262.34 g/mol. Its IUPAC name is 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene.

Molecular Properties

Compound Name2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene
PubChem CID143114123
Molecular FormulaC17H20F2
Molecular Weight262.34 g/mol
Exact Mass262.15
IUPAC Name2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene
SMILESCC1=C(F)C(F)=C(C)CC=C1.Cc1ccc(C)cc1
InChIInChI=1S/C9H10F2.C8H10/c1-6-4-3-5-7(2)9(11)8(6)10;1-7-3-5-8(2)6-4-7/h3-4H,5H2,1-2H3;3-6H,1-2H3
InChIKeyULAIKLRBJSUIFM-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.34
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174666436
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CID 173322239
azetidine;1,2-dimethylcyclopenta-1,3-diene
CID 174436418
ethane;1-(4-methylphenyl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143137585
1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
CID 174756791
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene?
The IUPAC name of 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene (CID 143114123) is 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene.
What is the SMILES notation for 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene?
The canonical SMILES for 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene is CC1=C(F)C(F)=C(C)CC=C1.Cc1ccc(C)cc1.
What is the InChIKey of 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene?
The InChIKey is ULAIKLRBJSUIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C8H10/c1-6-4-3-5-7(2)9(11)8(6)10;1-7-3-5-8(2)6-4-7/h3-4H,5H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene?
2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene has a molecular weight of 262.34 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,4-dimethylcyclohepta-1,3,5-triene;1,4-xylene is sourced from PubChem (CID 143114123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).