3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine

C11H11BrFN — CID 103393968

IUPAC3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine
SMILESNC1CC(=Cc2cccc(F)c2Br)C1
InChIInChI=1S/C11H11BrFN/c12-11-8(2-1-3-10(11)13)4-7-5-9(14)6-7/h1-4,9H,5-6,14H2/b7-4-
InChIKeyWSUOZCJWQMDFLK-DAXSKMNVSA-N
MW256.12 g/mol
LogP3.09
Rot. Bonds1

About 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine

3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine (PubChem CID 103393968) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine
PubChem CID103393968
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine
SMILESNC1CC(=Cc2cccc(F)c2Br)C1
InChIInChI=1S/C11H11BrFN/c12-11-8(2-1-3-10(11)13)4-7-5-9(14)6-7/h1-4,9H,5-6,14H2/b7-4-
InChIKeyWSUOZCJWQMDFLK-DAXSKMNVSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine
CID 79879887
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658
2-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 131020942
3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126844749
4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 168701150
3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 83752744
2-(cyclohexylidenemethyl)-6-fluoroaniline
CID 174342887
4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine
CID 102864229
1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene
CID 121281352
1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene
CID 131874054
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 84736108
(NE,R)-N-[(2-bromo-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 168987790

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine?
The IUPAC name of 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine (CID 103393968) is 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine.
What is the SMILES notation for 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine?
The canonical SMILES for 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine is NC1CC(=Cc2cccc(F)c2Br)C1.
What is the InChIKey of 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine?
The InChIKey is WSUOZCJWQMDFLK-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H11BrFN/c12-11-8(2-1-3-10(11)13)4-7-5-9(14)6-7/h1-4,9H,5-6,14H2/b7-4-.
What are the key properties of 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine?
3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine has a molecular weight of 256.12 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine is sourced from PubChem (CID 103393968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).