(3-chloro-2-fluoro-6-methoxyphenyl)methanimine

C8H7ClFNO — CID 170083934

IUPAC(3-chloro-2-fluoro-6-methoxyphenyl)methanimine
SMILES[H]/N=C/c1c(OC)ccc(Cl)c1F
InChIInChI=1S/C8H7ClFNO/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4,11H,1H3/b11-4+
InChIKeyWLDYNBWCHZAPDP-NYYWCZLTSA-N
MW187.60 g/mol
LogP2.49
Rot. Bonds2

About (3-chloro-2-fluoro-6-methoxyphenyl)methanimine

(3-chloro-2-fluoro-6-methoxyphenyl)methanimine (PubChem CID 170083934) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is (3-chloro-2-fluoro-6-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(3-chloro-2-fluoro-6-methoxyphenyl)methanimine
PubChem CID170083934
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name(3-chloro-2-fluoro-6-methoxyphenyl)methanimine
SMILES[H]/N=C/c1c(OC)ccc(Cl)c1F
InChIInChI=1S/C8H7ClFNO/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4,11H,1H3/b11-4+
InChIKeyWLDYNBWCHZAPDP-NYYWCZLTSA-N
XLogP2.49
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
(4-ethoxy-2,3-difluorophenyl)methanimine
CID 130242678
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine
CID 84802715
2-bromo-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 171007152
1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane
CID 144527983
2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile
CID 84783015
(4-chloro-2,3-difluorophenyl) hypochlorite
CID 175109316
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
1-tert-butyl-2-chloro-3-fluoro-4-methoxybenzene
CID 90305817

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluoro-6-methoxyphenyl)methanimine?
The IUPAC name of (3-chloro-2-fluoro-6-methoxyphenyl)methanimine (CID 170083934) is (3-chloro-2-fluoro-6-methoxyphenyl)methanimine.
What is the SMILES notation for (3-chloro-2-fluoro-6-methoxyphenyl)methanimine?
The canonical SMILES for (3-chloro-2-fluoro-6-methoxyphenyl)methanimine is [H]/N=C/c1c(OC)ccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluoro-6-methoxyphenyl)methanimine?
The InChIKey is WLDYNBWCHZAPDP-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4,11H,1H3/b11-4+.
What are the key properties of (3-chloro-2-fluoro-6-methoxyphenyl)methanimine?
(3-chloro-2-fluoro-6-methoxyphenyl)methanimine has a molecular weight of 187.60 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluoro-6-methoxyphenyl)methanimine is sourced from PubChem (CID 170083934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).