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

C9H6BrClF4 — CID 79660642

IUPAC1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene
SMILESFC(F)C(F)(F)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H6BrClF4/c10-7(9(14,15)8(12)13)5-1-3-6(11)4-2-5/h1-4,7-8H
InChIKeyKLKAGMYMHLQARA-UHFFFAOYSA-N
MW305.50 g/mol
LogP4.68
Rot. Bonds3

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

1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene (PubChem CID 79660642) has the molecular formula C9H6BrClF4 and a molecular weight of 305.50 g/mol. Its IUPAC name is 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene
PubChem CID79660642
Molecular FormulaC9H6BrClF4
Molecular Weight305.50 g/mol
Exact Mass303.93
IUPAC Name1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene
SMILESFC(F)C(F)(F)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H6BrClF4/c10-7(9(14,15)8(12)13)5-1-3-6(11)4-2-5/h1-4,7-8H
InChIKeyKLKAGMYMHLQARA-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 54.68
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-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 54771882
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
CID 79660738
6-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1,4-benzodioxine
CID 79660200
1-chloro-4-(dibromomethyl)benzene
CID 3017302
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
2-(1-bromo-2,2,3,3-tetrafluoropropyl)-6-methoxynaphthalene
CID 79660923
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
(4-chlorophenyl)-fluoromethanol
CID 174952192
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
1-[(1R)-1-bromo-2,2,2-trifluoroethyl]-4-fluorobenzene
CID 94794891

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene?
The IUPAC name of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene (CID 79660642) is 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene?
The canonical SMILES for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene is FC(F)C(F)(F)C(Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene?
The InChIKey is KLKAGMYMHLQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF4/c10-7(9(14,15)8(12)13)5-1-3-6(11)4-2-5/h1-4,7-8H.
What are the key properties of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene?
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene has a molecular weight of 305.50 g/mol, XLogP of 4.68, 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)-4-chlorobenzene is sourced from PubChem (CID 79660642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).