(E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine

C20H28FN — CID 90433995

IUPAC(E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine
SMILESC=C/N=C(\C=C(/C)C(C)(C)C)c1cc(C(C)(C)F)ccc1C
InChIInChI=1S/C20H28FN/c1-9-22-18(12-15(3)19(4,5)6)17-13-16(20(7,8)21)11-10-14(17)2/h9-13H,1H2,2-8H3/b15-12+,22-18+
InChIKeyFUEFFTVWHJZCQU-HNVSCKTLSA-N
MW301.45 g/mol
LogP6.12
Rot. Bonds4

About (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine

(E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine (PubChem CID 90433995) has the molecular formula C20H28FN and a molecular weight of 301.45 g/mol. Its IUPAC name is (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine
PubChem CID90433995
Molecular FormulaC20H28FN
Molecular Weight301.45 g/mol
Exact Mass301.22
IUPAC Name(E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine
SMILESC=C/N=C(\C=C(/C)C(C)(C)C)c1cc(C(C)(C)F)ccc1C
InChIInChI=1S/C20H28FN/c1-9-22-18(12-15(3)19(4,5)6)17-13-16(20(7,8)21)11-10-14(17)2/h9-13H,1H2,2-8H3/b15-12+,22-18+
InChIKeyFUEFFTVWHJZCQU-HNVSCKTLSA-N
XLogP6.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.45
LogP ≤ 56.12
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 (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine (CID 90433995) is (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine is C=C/N=C(\C=C(/C)C(C)(C)C)c1cc(C(C)(C)F)ccc1C.
What is the InChIKey of (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine?
The InChIKey is FUEFFTVWHJZCQU-HNVSCKTLSA-N. The full InChI is InChI=1S/C20H28FN/c1-9-22-18(12-15(3)19(4,5)6)17-13-16(20(7,8)21)11-10-14(17)2/h9-13H,1H2,2-8H3/b15-12+,22-18+.
What are the key properties of (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine?
(E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine has a molecular weight of 301.45 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-3,4,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 90433995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).