1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene

C9H8Cl2F2 — CID 167152424

IUPAC1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene
SMILESCCc1c(F)c(C)c(F)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl2F2/c1-3-5-6(10)7(11)9(13)4(2)8(5)12/h3H2,1-2H3
InChIKeyNYMVGERNTPNSON-UHFFFAOYSA-N
MW225.06 g/mol
LogP4.14
Rot. Bonds1

About 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene

1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene (PubChem CID 167152424) has the molecular formula C9H8Cl2F2 and a molecular weight of 225.06 g/mol. Its IUPAC name is 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene
PubChem CID167152424
Molecular FormulaC9H8Cl2F2
Molecular Weight225.06 g/mol
Exact Mass224.00
IUPAC Name1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene
SMILESCCc1c(F)c(C)c(F)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl2F2/c1-3-5-6(10)7(11)9(13)4(2)8(5)12/h3H2,1-2H3
InChIKeyNYMVGERNTPNSON-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.06
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene?
The IUPAC name of 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene (CID 167152424) is 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene.
What is the SMILES notation for 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene?
The canonical SMILES for 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene is CCc1c(F)c(C)c(F)c(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene?
The InChIKey is NYMVGERNTPNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F2/c1-3-5-6(10)7(11)9(13)4(2)8(5)12/h3H2,1-2H3.
What are the key properties of 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene?
1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene has a molecular weight of 225.06 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene is sourced from PubChem (CID 167152424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).