1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene

C14H11BrF2 — CID 154714701

IUPAC1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(F)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrF2/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(16)8-2-10/h1-8,14H,9H2
InChIKeyFMIBTXNTDVHQIE-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.84
Rot. Bonds3

About 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene

1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene (PubChem CID 154714701) has the molecular formula C14H11BrF2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
PubChem CID154714701
Molecular FormulaC14H11BrF2
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(F)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrF2/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(16)8-2-10/h1-8,14H,9H2
InChIKeyFMIBTXNTDVHQIE-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
CID 115354460
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene?
The IUPAC name of 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene (CID 154714701) is 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene is Fc1ccc(CC(F)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene?
The InChIKey is FMIBTXNTDVHQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(16)8-2-10/h1-8,14H,9H2.
What are the key properties of 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene?
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene has a molecular weight of 297.14 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 154714701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).