1-butan-2-yl-2,4-dichloro-5-fluorobenzene

C10H11Cl2F — CID 118487381

IUPAC1-butan-2-yl-2,4-dichloro-5-fluorobenzene
SMILESCCC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2F/c1-3-6(2)7-4-10(13)9(12)5-8(7)11/h4-6H,3H2,1-2H3
InChIKeyYQFCYXAEWYERLO-UHFFFAOYSA-N
MW221.10 g/mol
LogP4.65
Rot. Bonds2

About 1-butan-2-yl-2,4-dichloro-5-fluorobenzene

1-butan-2-yl-2,4-dichloro-5-fluorobenzene (PubChem CID 118487381) has the molecular formula C10H11Cl2F and a molecular weight of 221.10 g/mol. Its IUPAC name is 1-butan-2-yl-2,4-dichloro-5-fluorobenzene.

Molecular Properties

Compound Name1-butan-2-yl-2,4-dichloro-5-fluorobenzene
PubChem CID118487381
Molecular FormulaC10H11Cl2F
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name1-butan-2-yl-2,4-dichloro-5-fluorobenzene
SMILESCCC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2F/c1-3-6(2)7-4-10(13)9(12)5-8(7)11/h4-6H,3H2,1-2H3
InChIKeyYQFCYXAEWYERLO-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 54.65
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-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 66438476
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
CID 82709029
3-(2,4-dichloro-5-fluorophenyl)-N-propylbutan-2-amine
CID 66438321
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
1-(2-chloro-4,5-difluorophenyl)-3-methylpentan-1-ol
CID 107477075
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine
CID 79298947
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,4-dichloro-5-fluorobenzene?
The IUPAC name of 1-butan-2-yl-2,4-dichloro-5-fluorobenzene (CID 118487381) is 1-butan-2-yl-2,4-dichloro-5-fluorobenzene.
What is the SMILES notation for 1-butan-2-yl-2,4-dichloro-5-fluorobenzene?
The canonical SMILES for 1-butan-2-yl-2,4-dichloro-5-fluorobenzene is CCC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-butan-2-yl-2,4-dichloro-5-fluorobenzene?
The InChIKey is YQFCYXAEWYERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F/c1-3-6(2)7-4-10(13)9(12)5-8(7)11/h4-6H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-2,4-dichloro-5-fluorobenzene?
1-butan-2-yl-2,4-dichloro-5-fluorobenzene has a molecular weight of 221.10 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,4-dichloro-5-fluorobenzene is sourced from PubChem (CID 118487381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).