5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine

C18H26F2N2 — CID 130182492

IUPAC5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine
SMILESCC/C=C(\N=C(\CN)CCCF)c1ccc(C(C)(C)F)cc1
InChIInChI=1S/C18H26F2N2/c1-4-6-17(22-16(13-21)7-5-12-19)14-8-10-15(11-9-14)18(2,3)20/h6,8-11H,4-5,7,12-13,21H2,1-3H3/b17-6-,22-16+
InChIKeyWTJRNZUAFJZGFF-UTAPFSDASA-N
MW308.42 g/mol
LogP4.79
Rot. Bonds8

About 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine

5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine (PubChem CID 130182492) has the molecular formula C18H26F2N2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine.

Molecular Properties

Compound Name5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine
PubChem CID130182492
Molecular FormulaC18H26F2N2
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine
SMILESCC/C=C(\N=C(\CN)CCCF)c1ccc(C(C)(C)F)cc1
InChIInChI=1S/C18H26F2N2/c1-4-6-17(22-16(13-21)7-5-12-19)14-8-10-15(11-9-14)18(2,3)20/h6,8-11H,4-5,7,12-13,21H2,1-3H3/b17-6-,22-16+
InChIKeyWTJRNZUAFJZGFF-UTAPFSDASA-N
XLogP4.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine?
The IUPAC name of 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine (CID 130182492) is 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine.
What is the SMILES notation for 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine?
The canonical SMILES for 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine is CC/C=C(\N=C(\CN)CCCF)c1ccc(C(C)(C)F)cc1.
What is the InChIKey of 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine?
The InChIKey is WTJRNZUAFJZGFF-UTAPFSDASA-N. The full InChI is InChI=1S/C18H26F2N2/c1-4-6-17(22-16(13-21)7-5-12-19)14-8-10-15(11-9-14)18(2,3)20/h6,8-11H,4-5,7,12-13,21H2,1-3H3/b17-6-,22-16+.
What are the key properties of 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine?
5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(Z)-1-[4-(2-fluoropropan-2-yl)phenyl]but-1-enyl]iminopentan-1-amine is sourced from PubChem (CID 130182492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).