1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene

C15H13BrF2 — CID 79435525

IUPAC1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
SMILESFc1ccc(CC(CBr)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13BrF2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13H,9-10H2
InChIKeyKVVCMBHAHJNWNH-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.69
Rot. Bonds4

About 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene

1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene (PubChem CID 79435525) has the molecular formula C15H13BrF2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
PubChem CID79435525
Molecular FormulaC15H13BrF2
Molecular Weight311.17 g/mol
Exact Mass310.02
IUPAC Name1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
SMILESFc1ccc(CC(CBr)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13BrF2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13H,9-10H2
InChIKeyKVVCMBHAHJNWNH-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
CID 79452753
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435232
4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
1-[1-bromo-3-(4-tert-butylphenyl)propan-2-yl]-4-chlorobenzene
CID 79433622
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-[2-(bromomethyl)-3-methylbutyl]-4-fluorobenzene
CID 66041241
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene (CID 79435525) is 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene is Fc1ccc(CC(CBr)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene?
The InChIKey is KVVCMBHAHJNWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13H,9-10H2.
What are the key properties of 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene?
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene has a molecular weight of 311.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene is sourced from PubChem (CID 79435525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).