1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine

C9H8F3NO — CID 162605001

IUPAC1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(F)cc1OC(F)F
InChIInChI=1S/C9H8F3NO/c1-13-5-6-2-3-7(10)4-8(6)14-9(11)12/h2-5,9H,1H3/b13-5+
InChIKeyWCTBNCGKHMZYPU-WLRTZDKTSA-N
MW203.16 g/mol
LogP2.48
Rot. Bonds3

About 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine

1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine (PubChem CID 162605001) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine
PubChem CID162605001
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(F)cc1OC(F)F
InChIInChI=1S/C9H8F3NO/c1-13-5-6-2-3-7(10)4-8(6)14-9(11)12/h2-5,9H,1H3/b13-5+
InChIKeyWCTBNCGKHMZYPU-WLRTZDKTSA-N
XLogP2.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(difluoromethoxy)-4-fluorophenyl]prop-2-enal
CID 169459540
(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
CID 122163966
N-[[2-(difluoromethoxy)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619693
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
CID 168534079
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine?
The IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine (CID 162605001) is 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine is C/N=C/c1ccc(F)cc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine?
The InChIKey is WCTBNCGKHMZYPU-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-13-5-6-2-3-7(10)4-8(6)14-9(11)12/h2-5,9H,1H3/b13-5+.
What are the key properties of 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine?
1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine has a molecular weight of 203.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-fluorophenyl]-N-methylmethanimine is sourced from PubChem (CID 162605001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).