(Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine

C12H14BrF2NS — CID 139577228

IUPAC(Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine
SMILESCC(C)(C)S/N=C(/c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C12H14BrF2NS/c1-12(2,3)17-16-10(11(14)15)8-4-6-9(13)7-5-8/h4-7,11H,1-3H3/b16-10-
InChIKeyFGOBBCFAKRXIMI-YBEGLDIGSA-N
MW322.22 g/mol
LogP4.95
Rot. Bonds3

About (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine

(Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine (PubChem CID 139577228) has the molecular formula C12H14BrF2NS and a molecular weight of 322.22 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine
PubChem CID139577228
Molecular FormulaC12H14BrF2NS
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name(Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine
SMILESCC(C)(C)S/N=C(/c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C12H14BrF2NS/c1-12(2,3)17-16-10(11(14)15)8-4-6-9(13)7-5-8/h4-7,11H,1-3H3/b16-10-
InChIKeyFGOBBCFAKRXIMI-YBEGLDIGSA-N
XLogP4.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
p-Bromoacetophenone oxime, (Z)-
CID 6339226
p-Bromoacetophenone oxime, (E)-
CID 5398499
(E)-1-(4-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
CID 58611153
(R)-N-[(1E)-1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126877
(E)-1-(4-bromo-2-fluorophenyl)-N-methoxyethanimine
CID 88046010
Ethanone, hydrazone
CID 5380952
1-Bromo-4-(1-diazo-2,2,2-trifluoroethyl)benzene
CID 101882224
(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine
CID 135057207
(1-(4-Bromophenyl)ethylidene)hydrazine
CID 267965
1-(4-Bromophenyl)ethanone oxime
CID 730051
1-Propanone, 1-(4-bromophenyl)-, oxime
CID 10489503

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine?
The IUPAC name of (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine (CID 139577228) is (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine?
The canonical SMILES for (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine is CC(C)(C)S/N=C(/c1ccc(Br)cc1)C(F)F.
What is the InChIKey of (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine?
The InChIKey is FGOBBCFAKRXIMI-YBEGLDIGSA-N. The full InChI is InChI=1S/C12H14BrF2NS/c1-12(2,3)17-16-10(11(14)15)8-4-6-9(13)7-5-8/h4-7,11H,1-3H3/b16-10-.
What are the key properties of (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine?
(Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine has a molecular weight of 322.22 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromophenyl)-N-tert-butylsulfanyl-2,2-difluoroethanimine is sourced from PubChem (CID 139577228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).