2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine

C16H14BrF2NO2 — CID 135006703

IUPAC2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(/c2cccc(OC)c2)C(F)(F)Br)cc1
InChIInChI=1S/C16H14BrF2NO2/c1-21-13-8-6-12(7-9-13)20-15(16(17,18)19)11-4-3-5-14(10-11)22-2/h3-10H,1-2H3/b20-15-
InChIKeyPXFCOHYWZSNPBY-HKWRFOASSA-N
MW370.19 g/mol
LogP4.81
Rot. Bonds5

About 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine

2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine (PubChem CID 135006703) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
PubChem CID135006703
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(/c2cccc(OC)c2)C(F)(F)Br)cc1
InChIInChI=1S/C16H14BrF2NO2/c1-21-13-8-6-12(7-9-13)20-15(16(17,18)19)11-4-3-5-14(10-11)22-2/h3-10H,1-2H3/b20-15-
InChIKeyPXFCOHYWZSNPBY-HKWRFOASSA-N
XLogP4.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
CID 86064407
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
CID 102573910
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
N-amino-3-methoxy-N'-phenylbenzenecarboximidamide
CID 61363522
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
CID 177478664
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
CID 114962483
(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 22963052

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine (CID 135006703) is 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine is COc1ccc(/N=C(/c2cccc(OC)c2)C(F)(F)Br)cc1.
What is the InChIKey of 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
The InChIKey is PXFCOHYWZSNPBY-HKWRFOASSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c1-21-13-8-6-12(7-9-13)20-15(16(17,18)19)11-4-3-5-14(10-11)22-2/h3-10H,1-2H3/b20-15-.
What are the key properties of 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine has a molecular weight of 370.19 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 135006703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).