1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene

C24H27Cl2F — CID 174899702

IUPAC1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene
SMILESCc1cc(Cl)c(C)cc1Cl.Cc1ccc(C)cc1.Cc1ccc(CF)cc1
InChIInChI=1S/C8H8Cl2.C8H9F.C8H10/c1-5-3-8(10)6(2)4-7(5)9;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7/h3-4H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3
InChIKeySXTBDDSYUWBMSY-UHFFFAOYSA-N
MW405.38 g/mol
LogP8.38
Rot. Bonds1

About 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene

1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene (PubChem CID 174899702) has the molecular formula C24H27Cl2F and a molecular weight of 405.38 g/mol. Its IUPAC name is 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene.

Molecular Properties

Compound Name1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene
PubChem CID174899702
Molecular FormulaC24H27Cl2F
Molecular Weight405.38 g/mol
Exact Mass404.15
IUPAC Name1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene
SMILESCc1cc(Cl)c(C)cc1Cl.Cc1ccc(C)cc1.Cc1ccc(CF)cc1
InChIInChI=1S/C8H8Cl2.C8H9F.C8H10/c1-5-3-8(10)6(2)4-7(5)9;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7/h3-4H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3
InChIKeySXTBDDSYUWBMSY-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene?
The IUPAC name of 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene (CID 174899702) is 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene.
What is the SMILES notation for 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene?
The canonical SMILES for 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene is Cc1cc(Cl)c(C)cc1Cl.Cc1ccc(C)cc1.Cc1ccc(CF)cc1.
What is the InChIKey of 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene?
The InChIKey is SXTBDDSYUWBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2.C8H9F.C8H10/c1-5-3-8(10)6(2)4-7(5)9;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7/h3-4H,1-2H3;2-5H,6H2,1H3;3-6H,1-2H3.
What are the key properties of 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene?
1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene has a molecular weight of 405.38 g/mol, XLogP of 8.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene is sourced from PubChem (CID 174899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).