1,2-dichloro-4-fluoro-3-propan-2-ylbenzene

C9H9Cl2F — CID 170579683

IUPAC1,2-dichloro-4-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2F/c1-5(2)8-7(12)4-3-6(10)9(8)11/h3-5H,1-2H3
InChIKeyLINSTTZWMVUDEG-UHFFFAOYSA-N
MW207.07 g/mol
LogP4.26
Rot. Bonds1

About 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene

1,2-dichloro-4-fluoro-3-propan-2-ylbenzene (PubChem CID 170579683) has the molecular formula C9H9Cl2F and a molecular weight of 207.07 g/mol. Its IUPAC name is 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-fluoro-3-propan-2-ylbenzene
PubChem CID170579683
Molecular FormulaC9H9Cl2F
Molecular Weight207.07 g/mol
Exact Mass206.01
IUPAC Name1,2-dichloro-4-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2F/c1-5(2)8-7(12)4-3-6(10)9(8)11/h3-5H,1-2H3
InChIKeyLINSTTZWMVUDEG-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dichlorobiphenyl
CID 27959
2,2',3-Trichlorobiphenyl
CID 38032
2',3,3'-Trichlorobiphenyl
CID 38034
2,3,4'-Trichlorobiphenyl
CID 38035
2',3,4-Trichlorobiphenyl
CID 38036
2,2',3,3'-Tetrachlorobiphenyl
CID 38040
Benzene, 1,2-dichloro-3-methyl-
CID 34702
p-Cymene, 3-chloro-
CID 20421
1,2-Dichloro-3-(trifluoromethyl)benzene
CID 94570
3,4-Dichloroethylbenzene
CID 244557
Benzene, 1,2-dichloro-3-ethyl-
CID 521511
Benzene, 1-chloro-2-(1-methylethyl)-
CID 16377

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene?
The IUPAC name of 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene (CID 170579683) is 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene?
The canonical SMILES for 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene is CC(C)c1c(F)ccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene?
The InChIKey is LINSTTZWMVUDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F/c1-5(2)8-7(12)4-3-6(10)9(8)11/h3-5H,1-2H3.
What are the key properties of 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene?
1,2-dichloro-4-fluoro-3-propan-2-ylbenzene has a molecular weight of 207.07 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-fluoro-3-propan-2-ylbenzene is sourced from PubChem (CID 170579683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).