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

C11H13Cl2F — CID 177005609

IUPAC1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene
SMILESCCc1cc(Cl)c(C(C)C)c(F)c1Cl
InChIInChI=1S/C11H13Cl2F/c1-4-7-5-8(12)9(6(2)3)11(14)10(7)13/h5-6H,4H2,1-3H3
InChIKeyOGHVSDAWGHTOAJ-UHFFFAOYSA-N
MW235.13 g/mol
LogP4.82
Rot. Bonds2

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

1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene (PubChem CID 177005609) has the molecular formula C11H13Cl2F and a molecular weight of 235.13 g/mol. Its IUPAC name is 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene
PubChem CID177005609
Molecular FormulaC11H13Cl2F
Molecular Weight235.13 g/mol
Exact Mass234.04
IUPAC Name1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene
SMILESCCc1cc(Cl)c(C(C)C)c(F)c1Cl
InChIInChI=1S/C11H13Cl2F/c1-4-7-5-8(12)9(6(2)3)11(14)10(7)13/h5-6H,4H2,1-3H3
InChIKeyOGHVSDAWGHTOAJ-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-2,4,6-trifluoro-5-propan-2-ylbenzene
CID 170123757
1,2,5-trichloro-3-ethylbenzene
CID 70861390
1,4-dichloro-2-ethyl-3-fluoro-5-propan-2-ylbenzene
CID 178026499
1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
CID 168959463
2,4-dichloro-1,5-difluoro-3-propan-2-ylbenzene
CID 155380165
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117458970
(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
CID 163198260
3-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 146392473
2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113261
5-bromo-2-chloro-1,3-diethylbenzene
CID 44891102

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene?
The IUPAC name of 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene (CID 177005609) is 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene?
The canonical SMILES for 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene is CCc1cc(Cl)c(C(C)C)c(F)c1Cl.
What is the InChIKey of 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene?
The InChIKey is OGHVSDAWGHTOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F/c1-4-7-5-8(12)9(6(2)3)11(14)10(7)13/h5-6H,4H2,1-3H3.
What are the key properties of 1,4-dichloro-5-ethyl-3-fluoro-2-propan-2-ylbenzene?
1,4-dichloro-5-ethyl-3-fluoro-2-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-5-ethyl-3-fluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 177005609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).