1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene

C9H5BrCl2F4 — CID 79660738

IUPAC1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
SMILESFC(F)C(F)(F)C(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H5BrCl2F4/c10-7(9(15,16)8(13)14)5-2-1-4(11)3-6(5)12/h1-3,7-8H
InChIKeyYMRDBFVZKXENRA-UHFFFAOYSA-N
MW339.94 g/mol
LogP5.33
Rot. Bonds3

About 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene

1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene (PubChem CID 79660738) has the molecular formula C9H5BrCl2F4 and a molecular weight of 339.94 g/mol. Its IUPAC name is 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
PubChem CID79660738
Molecular FormulaC9H5BrCl2F4
Molecular Weight339.94 g/mol
Exact Mass337.89
IUPAC Name1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
SMILESFC(F)C(F)(F)C(Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H5BrCl2F4/c10-7(9(15,16)8(13)14)5-2-1-4(11)3-6(5)12/h1-3,7-8H
InChIKeyYMRDBFVZKXENRA-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.94
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene
CID 79660642
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene
CID 103211043
(2S,3S)-3-amino-3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171162634
1-bromo-4-[bromo-(2,4-dichlorophenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400009
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-difluoro-5-methylbenzene
CID 79730616
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 119008035
1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 107477207

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene?
The IUPAC name of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene (CID 79660738) is 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene?
The canonical SMILES for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene is FC(F)C(F)(F)C(Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene?
The InChIKey is YMRDBFVZKXENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2F4/c10-7(9(15,16)8(13)14)5-2-1-4(11)3-6(5)12/h1-3,7-8H.
What are the key properties of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene?
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene has a molecular weight of 339.94 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene is sourced from PubChem (CID 79660738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).