1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene

C15H19F3 — CID 144519543

IUPAC1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene
SMILESCC1CCC=C(F)C1.Cc1cc(F)c(C)c(F)c1
InChIInChI=1S/C8H8F2.C7H11F/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-2-4-7(8)5-6/h3-4H,1-2H3;4,6H,2-3,5H2,1H3
InChIKeyXUOKGVXTNSRTRE-UHFFFAOYSA-N
MW256.31 g/mol
LogP5.24
Rot. Bonds

About 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene

1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene (PubChem CID 144519543) has the molecular formula C15H19F3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene.

Molecular Properties

Compound Name1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene
PubChem CID144519543
Molecular FormulaC15H19F3
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene
SMILESCC1CCC=C(F)C1.Cc1cc(F)c(C)c(F)c1
InChIInChI=1S/C8H8F2.C7H11F/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-2-4-7(8)5-6/h3-4H,1-2H3;4,6H,2-3,5H2,1H3
InChIKeyXUOKGVXTNSRTRE-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.31
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene?
The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene (CID 144519543) is 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene.
What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene?
The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene is CC1CCC=C(F)C1.Cc1cc(F)c(C)c(F)c1.
What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene?
The InChIKey is XUOKGVXTNSRTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.C7H11F/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-2-4-7(8)5-6/h3-4H,1-2H3;4,6H,2-3,5H2,1H3.
What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene?
1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene has a molecular weight of 256.31 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,5-dimethylbenzene;1-fluoro-5-methylcyclohexene is sourced from PubChem (CID 144519543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).