4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene

C10H10BrF — CID 58961640

IUPAC4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
SMILESCC/C=C\c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrF/c1-2-3-4-8-5-6-9(11)7-10(8)12/h3-7H,2H2,1H3/b4-3-
InChIKeyTVPZQZFCTHJXGX-ARJAWSKDSA-N
MW229.09 g/mol
LogP4.01
Rot. Bonds2

About 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene

4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene (PubChem CID 58961640) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
PubChem CID58961640
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
SMILESCC/C=C\c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrF/c1-2-3-4-8-5-6-9(11)7-10(8)12/h3-7H,2H2,1H3/b4-3-
InChIKeyTVPZQZFCTHJXGX-ARJAWSKDSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
CID 103971130
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674
3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine
CID 169474633
4-bromo-2-fluoro-1-(2-nitrobut-1-enyl)benzene
CID 76912988
4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 79739424
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334653
1-bromo-3-[(E)-but-1-enyl]benzene
CID 22159609
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene (CID 58961640) is 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene is CC/C=C\c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene?
The InChIKey is TVPZQZFCTHJXGX-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10BrF/c1-2-3-4-8-5-6-9(11)7-10(8)12/h3-7H,2H2,1H3/b4-3-.
What are the key properties of 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene?
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene has a molecular weight of 229.09 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene is sourced from PubChem (CID 58961640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).