1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene

C10H10Cl3F — CID 167303286

IUPAC1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene
SMILESCc1c(F)c(Cl)c(Cl)c(C(C)C)c1Cl
InChIInChI=1S/C10H10Cl3F/c1-4(2)6-7(11)5(3)10(14)9(13)8(6)12/h4H,1-3H3
InChIKeyQYZPWTUETMWWSJ-UHFFFAOYSA-N
MW255.55 g/mol
LogP5.22
Rot. Bonds1

About 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene

1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene (PubChem CID 167303286) has the molecular formula C10H10Cl3F and a molecular weight of 255.55 g/mol. Its IUPAC name is 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene
PubChem CID167303286
Molecular FormulaC10H10Cl3F
Molecular Weight255.55 g/mol
Exact Mass253.98
IUPAC Name1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene
SMILESCc1c(F)c(Cl)c(Cl)c(C(C)C)c1Cl
InChIInChI=1S/C10H10Cl3F/c1-4(2)6-7(11)5(3)10(14)9(13)8(6)12/h4H,1-3H3
InChIKeyQYZPWTUETMWWSJ-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.55
LogP ≤ 55.22
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'}

Analyze 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trichloro-2-fluoro-6-propan-2-ylaniline
CID 156531103
1,3-dichloro-2,4,6-trifluoro-5-propan-2-ylbenzene
CID 170123757
4-chloro-2,3-difluoro-6-methyl-5-propan-2-ylphenol
CID 167152305
2,3,4-trichloro-6-fluoro-5-propan-2-ylphenol
CID 156531016
2,4-dichloro-1,5-difluoro-3-propan-2-ylbenzene
CID 155380165
1,3-dichloro-2,4,5-trifluoro-6-propan-2-ylbenzene
CID 170123735
1-chloro-2,3,6-trifluoro-4,5-dimethylbenzene
CID 175248816
1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
CID 150741990
2,4-dichloro-3,6-difluoro-5-propan-2-ylaniline
CID 156531013
3-chloro-2,4,5-trifluoro-6-propan-2-ylaniline
CID 156531072
2-chloro-4,5,6-trifluoro-3-propan-2-ylaniline
CID 156531002
3,4,5-trichloro-2,6-di(propan-2-yl)aniline
CID 141053137

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene?
The IUPAC name of 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene (CID 167303286) is 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene.
What is the SMILES notation for 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene?
The canonical SMILES for 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene is Cc1c(F)c(Cl)c(Cl)c(C(C)C)c1Cl.
What is the InChIKey of 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene?
The InChIKey is QYZPWTUETMWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3F/c1-4(2)6-7(11)5(3)10(14)9(13)8(6)12/h4H,1-3H3.
What are the key properties of 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene?
1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene has a molecular weight of 255.55 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trichloro-3-fluoro-4-methyl-6-propan-2-ylbenzene is sourced from PubChem (CID 167303286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).