(E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine

C10H16FN — CID 126560449

IUPAC(E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine
SMILESC=C(/N=C/C(F)=C\C)C(C)(C)C
InChIInChI=1S/C10H16FN/c1-6-9(11)7-12-8(2)10(3,4)5/h6-7H,2H2,1,3-5H3/b9-6+,12-7+
InChIKeyPBMMRJZPRISZJU-QBXHZEQXSA-N
MW169.24 g/mol
LogP3.49
Rot. Bonds2

About (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine

(E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine (PubChem CID 126560449) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine
PubChem CID126560449
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine
SMILESC=C(/N=C/C(F)=C\C)C(C)(C)C
InChIInChI=1S/C10H16FN/c1-6-9(11)7-12-8(2)10(3,4)5/h6-7H,2H2,1,3-5H3/b9-6+,12-7+
InChIKeyPBMMRJZPRISZJU-QBXHZEQXSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.49
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-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine?
The IUPAC name of (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine (CID 126560449) is (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine.
What is the SMILES notation for (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine?
The canonical SMILES for (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine is C=C(/N=C/C(F)=C\C)C(C)(C)C.
What is the InChIKey of (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine?
The InChIKey is PBMMRJZPRISZJU-QBXHZEQXSA-N. The full InChI is InChI=1S/C10H16FN/c1-6-9(11)7-12-8(2)10(3,4)5/h6-7H,2H2,1,3-5H3/b9-6+,12-7+.
What are the key properties of (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine?
(E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine has a molecular weight of 169.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethylbut-1-en-2-yl)-2-fluorobut-2-en-1-imine is sourced from PubChem (CID 126560449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).