(2S)-4-bromo-2-fluorobutan-1-imine

C4H7BrFN — CID 144573245

IUPAC(2S)-4-bromo-2-fluorobutan-1-imine
SMILES[H]/N=C/[C@@H](F)CCBr
InChIInChI=1S/C4H7BrFN/c5-2-1-4(6)3-7/h3-4,7H,1-2H2/b7-3+/t4-/m0/s1
InChIKeyHLYTZAXKQPECGO-DMEVQGBNSA-N
MW168.01 g/mol
LogP1.76
Rot. Bonds3

About (2S)-4-bromo-2-fluorobutan-1-imine

(2S)-4-bromo-2-fluorobutan-1-imine (PubChem CID 144573245) has the molecular formula C4H7BrFN and a molecular weight of 168.01 g/mol. Its IUPAC name is (2S)-4-bromo-2-fluorobutan-1-imine.

Molecular Properties

Compound Name(2S)-4-bromo-2-fluorobutan-1-imine
PubChem CID144573245
Molecular FormulaC4H7BrFN
Molecular Weight168.01 g/mol
Exact Mass166.97
IUPAC Name(2S)-4-bromo-2-fluorobutan-1-imine
SMILES[H]/N=C/[C@@H](F)CCBr
InChIInChI=1S/C4H7BrFN/c5-2-1-4(6)3-7/h3-4,7H,1-2H2/b7-3+/t4-/m0/s1
InChIKeyHLYTZAXKQPECGO-DMEVQGBNSA-N
XLogP1.76
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.01
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluorobutan-1-imine;3,5-dimethylbenzoic acid;methyl 3,5-dimethylbenzoate
CID 144573226
3-bromo-1,1-difluoropropane
CID 18504245
3-methanimidoylpentane-1,5-diol
CID 91152734
2-bromoethyl(trimethyl)phosphanium
CID 22909796
(Z)-6-fluoro-2-methylhept-3-en-1-imine
CID 88562245
2-fluoro-3-iminopropanamide
CID 123604570
5-imino-4-methylpentan-2-amine
CID 123629957
(2R,3S,4R)-4-fluoro-5-imino-3-iodopentane-1,2-diol
CID 129300060
(Z,5S)-5-amino-1,6-difluoro-7-iminohept-3-en-2-one
CID 89416443
2,4-dimethylhexan-1-imine
CID 88882138
(2R)-2-amino-3-iminopropane-1-thiol
CID 90753245
4-methylheptane-1,7-diimine
CID 139852006

Frequently Asked Questions

What is the IUPAC name of (2S)-4-bromo-2-fluorobutan-1-imine?
The IUPAC name of (2S)-4-bromo-2-fluorobutan-1-imine (CID 144573245) is (2S)-4-bromo-2-fluorobutan-1-imine.
What is the SMILES notation for (2S)-4-bromo-2-fluorobutan-1-imine?
The canonical SMILES for (2S)-4-bromo-2-fluorobutan-1-imine is [H]/N=C/[C@@H](F)CCBr.
What is the InChIKey of (2S)-4-bromo-2-fluorobutan-1-imine?
The InChIKey is HLYTZAXKQPECGO-DMEVQGBNSA-N. The full InChI is InChI=1S/C4H7BrFN/c5-2-1-4(6)3-7/h3-4,7H,1-2H2/b7-3+/t4-/m0/s1.
What are the key properties of (2S)-4-bromo-2-fluorobutan-1-imine?
(2S)-4-bromo-2-fluorobutan-1-imine has a molecular weight of 168.01 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-bromo-2-fluorobutan-1-imine is sourced from PubChem (CID 144573245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).