2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine

C12H13F2N — CID 123450041

IUPAC2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine
SMILESC=C(F)/C(CC)=N/Cc1ccccc1F
InChIInChI=1S/C12H13F2N/c1-3-12(9(2)13)15-8-10-6-4-5-7-11(10)14/h4-7H,2-3,8H2,1H3/b15-12+
InChIKeyFHLNROFRZNOJOV-NTCAYCPXSA-N
MW209.24 g/mol
LogP3.66
Rot. Bonds4

About 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine

2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine (PubChem CID 123450041) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine.

Molecular Properties

Compound Name2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine
PubChem CID123450041
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine
SMILESC=C(F)/C(CC)=N/Cc1ccccc1F
InChIInChI=1S/C12H13F2N/c1-3-12(9(2)13)15-8-10-6-4-5-7-11(10)14/h4-7H,2-3,8H2,1H3/b15-12+
InChIKeyFHLNROFRZNOJOV-NTCAYCPXSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine?
The IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine (CID 123450041) is 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine.
What is the SMILES notation for 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine?
The canonical SMILES for 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine is C=C(F)/C(CC)=N/Cc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine?
The InChIKey is FHLNROFRZNOJOV-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H13F2N/c1-3-12(9(2)13)15-8-10-6-4-5-7-11(10)14/h4-7H,2-3,8H2,1H3/b15-12+.
What are the key properties of 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine?
2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine has a molecular weight of 209.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-fluorophenyl)methyl]pent-1-en-3-imine is sourced from PubChem (CID 123450041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).