(4-ethoxy-2,3-difluorophenyl)methanimine

C9H9F2NO — CID 130242678

IUPAC(4-ethoxy-2,3-difluorophenyl)methanimine
SMILES[H]/N=C/c1ccc(OCC)c(F)c1F
InChIInChI=1S/C9H9F2NO/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-5,12H,2H2,1H3/b12-5+
InChIKeyHBGUUMFXGRVYEB-LFYBBSHMSA-N
MW185.17 g/mol
LogP2.36
Rot. Bonds3

About (4-ethoxy-2,3-difluorophenyl)methanimine

(4-ethoxy-2,3-difluorophenyl)methanimine (PubChem CID 130242678) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (4-ethoxy-2,3-difluorophenyl)methanimine.

Molecular Properties

Compound Name(4-ethoxy-2,3-difluorophenyl)methanimine
PubChem CID130242678
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(4-ethoxy-2,3-difluorophenyl)methanimine
SMILES[H]/N=C/c1ccc(OCC)c(F)c1F
InChIInChI=1S/C9H9F2NO/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-5,12H,2H2,1H3/b12-5+
InChIKeyHBGUUMFXGRVYEB-LFYBBSHMSA-N
XLogP2.36
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.36
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

4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
(E)-3-(4-ethoxy-2,3-difluorophenyl)prop-2-enoic acid
CID 46737624
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
CID 164894138
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
3-acetyl-4-ethoxy-2-fluorobenzaldehyde
CID 171003136
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,3-difluorophenyl)methanimine?
The IUPAC name of (4-ethoxy-2,3-difluorophenyl)methanimine (CID 130242678) is (4-ethoxy-2,3-difluorophenyl)methanimine.
What is the SMILES notation for (4-ethoxy-2,3-difluorophenyl)methanimine?
The canonical SMILES for (4-ethoxy-2,3-difluorophenyl)methanimine is [H]/N=C/c1ccc(OCC)c(F)c1F.
What is the InChIKey of (4-ethoxy-2,3-difluorophenyl)methanimine?
The InChIKey is HBGUUMFXGRVYEB-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-5,12H,2H2,1H3/b12-5+.
What are the key properties of (4-ethoxy-2,3-difluorophenyl)methanimine?
(4-ethoxy-2,3-difluorophenyl)methanimine has a molecular weight of 185.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,3-difluorophenyl)methanimine is sourced from PubChem (CID 130242678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).