1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene

C18H15BrClF — CID 139493823

IUPAC1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene
SMILESCc1ccc(C(=C2CCC2)c2ccc(Cl)cc2F)c(Br)c1
InChIInChI=1S/C18H15BrClF/c1-11-5-7-14(16(19)9-11)18(12-3-2-4-12)15-8-6-13(20)10-17(15)21/h5-10H,2-4H2,1H3
InChIKeyZQKKXNNFQUAEHZ-UHFFFAOYSA-N
MW365.67 g/mol
LogP6.54
Rot. Bonds2

About 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene

1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene (PubChem CID 139493823) has the molecular formula C18H15BrClF and a molecular weight of 365.67 g/mol. Its IUPAC name is 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene
PubChem CID139493823
Molecular FormulaC18H15BrClF
Molecular Weight365.67 g/mol
Exact Mass364.00
IUPAC Name1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene
SMILESCc1ccc(C(=C2CCC2)c2ccc(Cl)cc2F)c(Br)c1
InChIInChI=1S/C18H15BrClF/c1-11-5-7-14(16(19)9-11)18(12-3-2-4-12)15-8-6-13(20)10-17(15)21/h5-10H,2-4H2,1H3
InChIKeyZQKKXNNFQUAEHZ-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.67
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene (CID 139493823) is 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene is Cc1ccc(C(=C2CCC2)c2ccc(Cl)cc2F)c(Br)c1.
What is the InChIKey of 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene?
The InChIKey is ZQKKXNNFQUAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClF/c1-11-5-7-14(16(19)9-11)18(12-3-2-4-12)15-8-6-13(20)10-17(15)21/h5-10H,2-4H2,1H3.
What are the key properties of 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene?
1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene has a molecular weight of 365.67 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-methylphenyl)-cyclobutylidenemethyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 139493823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).