1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene

C11H13Cl2F — CID 178026499

IUPAC1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene
SMILESCCc1c(Cl)cc(C(C)C)c(Cl)c1F
InChIInChI=1S/C11H13Cl2F/c1-4-7-9(12)5-8(6(2)3)10(13)11(7)14/h5-6H,4H2,1-3H3
InChIKeyRXVASAFWVKVWJY-UHFFFAOYSA-N
MW235.13 g/mol
LogP4.82
Rot. Bonds2

About 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene

1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene (PubChem CID 178026499) has the molecular formula C11H13Cl2F and a molecular weight of 235.13 g/mol. Its IUPAC name is 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene
PubChem CID178026499
Molecular FormulaC11H13Cl2F
Molecular Weight235.13 g/mol
Exact Mass234.04
IUPAC Name1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene
SMILESCCc1c(Cl)cc(C(C)C)c(Cl)c1F
InChIInChI=1S/C11H13Cl2F/c1-4-7-9(12)5-8(6(2)3)10(13)11(7)14/h5-6H,4H2,1-3H3
InChIKeyRXVASAFWVKVWJY-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 54.82
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

1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
CID 163849495
1,3-dichloro-5-(1,1-difluoro-2-methylpropyl)-2-ethylbenzene
CID 123835393
1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene
CID 177005609
1,4-dichloro-2,5-difluoro-3,6-bis[2,4,6-tri(propan-2-yl)phenyl]benzene
CID 169156498
1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
5-chloro-2-ethyl-4-propan-2-ylpyridine
CID 137409375
(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol
CID 117291228
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
1-chloro-5-(2,4-dimethyl-1-methylsulfanylpent-4-enyl)-2-ethyl-4-fluoro-3-methylbenzene
CID 166670961
6-bromo-4-chloro-3-ethyl-2-fluorobenzaldehyde
CID 155413959
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene?
The IUPAC name of 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene (CID 178026499) is 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene.
What is the SMILES notation for 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene?
The canonical SMILES for 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene is CCc1c(Cl)cc(C(C)C)c(Cl)c1F.
What is the InChIKey of 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene?
The InChIKey is RXVASAFWVKVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F/c1-4-7-9(12)5-8(6(2)3)10(13)11(7)14/h5-6H,4H2,1-3H3.
What are the key properties of 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene?
1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene has a molecular weight of 235.13 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 178026499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).