N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine

C11H19FNP — CID 170391438

IUPACN-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)C(C)(F)P)C(C)C
InChIInChI=1S/C11H19FNP/c1-6-10(8(2)3)13-7-9(4)11(5,12)14/h6-8H,1,14H2,2-5H3/b9-7+,13-10+
InChIKeyNJDSNBPWWHWLAH-IJQSQKGZSA-N
MW215.25 g/mol
LogP3.73
Rot. Bonds4

About N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine

N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine (PubChem CID 170391438) has the molecular formula C11H19FNP and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine
PubChem CID170391438
Molecular FormulaC11H19FNP
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)C(C)(F)P)C(C)C
InChIInChI=1S/C11H19FNP/c1-6-10(8(2)3)13-7-9(4)11(5,12)14/h6-8H,1,14H2,2-5H3/b9-7+,13-10+
InChIKeyNJDSNBPWWHWLAH-IJQSQKGZSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine?
The IUPAC name of N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine (CID 170391438) is N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine?
The canonical SMILES for N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine is C=C/C(=N\C=C(/C)C(C)(F)P)C(C)C.
What is the InChIKey of N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine?
The InChIKey is NJDSNBPWWHWLAH-IJQSQKGZSA-N. The full InChI is InChI=1S/C11H19FNP/c1-6-10(8(2)3)13-7-9(4)11(5,12)14/h6-8H,1,14H2,2-5H3/b9-7+,13-10+.
What are the key properties of N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine?
N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine has a molecular weight of 215.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine is sourced from PubChem (CID 170391438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).