N-(2-ethyl-4,5-difluorophenyl)ethanimine

C10H11F2N — CID 154643473

IUPACN-(2-ethyl-4,5-difluorophenyl)ethanimine
SMILESC/C=N/c1cc(F)c(F)cc1CC
InChIInChI=1S/C10H11F2N/c1-3-7-5-8(11)9(12)6-10(7)13-4-2/h4-6H,3H2,1-2H3/b13-4+
InChIKeyZEBAVIAVDLZUFD-YIXHJXPBSA-N
MW183.20 g/mol
LogP3.25
Rot. Bonds2

About N-(2-ethyl-4,5-difluorophenyl)ethanimine

N-(2-ethyl-4,5-difluorophenyl)ethanimine (PubChem CID 154643473) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is N-(2-ethyl-4,5-difluorophenyl)ethanimine.

Molecular Properties

Compound NameN-(2-ethyl-4,5-difluorophenyl)ethanimine
PubChem CID154643473
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC NameN-(2-ethyl-4,5-difluorophenyl)ethanimine
SMILESC/C=N/c1cc(F)c(F)cc1CC
InChIInChI=1S/C10H11F2N/c1-3-7-5-8(11)9(12)6-10(7)13-4-2/h4-6H,3H2,1-2H3/b13-4+
InChIKeyZEBAVIAVDLZUFD-YIXHJXPBSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 170404
CID 170404
CID 5375816
CID 5375816
CID 291034
CID 291034
CID 97516
CID 97516
CID 918392
CID 918392
CID 1799154
CID 1799154
CID 607801
CID 607801
CID 2734613
CID 2734613
CID 519443
CID 519443
CID 123131584
CID 123131584
CID 6509966
CID 6509966
CID 12585592
CID 12585592

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,5-difluorophenyl)ethanimine?
The IUPAC name of N-(2-ethyl-4,5-difluorophenyl)ethanimine (CID 154643473) is N-(2-ethyl-4,5-difluorophenyl)ethanimine.
What is the SMILES notation for N-(2-ethyl-4,5-difluorophenyl)ethanimine?
The canonical SMILES for N-(2-ethyl-4,5-difluorophenyl)ethanimine is C/C=N/c1cc(F)c(F)cc1CC.
What is the InChIKey of N-(2-ethyl-4,5-difluorophenyl)ethanimine?
The InChIKey is ZEBAVIAVDLZUFD-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H11F2N/c1-3-7-5-8(11)9(12)6-10(7)13-4-2/h4-6H,3H2,1-2H3/b13-4+.
What are the key properties of N-(2-ethyl-4,5-difluorophenyl)ethanimine?
N-(2-ethyl-4,5-difluorophenyl)ethanimine has a molecular weight of 183.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,5-difluorophenyl)ethanimine is sourced from PubChem (CID 154643473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).