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

C12H20FN — CID 170144613

IUPACN-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)C(C)C)C(C)(C)F
InChIInChI=1S/C12H20FN/c1-7-11(12(5,6)13)14-8-10(4)9(2)3/h7-9H,1H2,2-6H3/b10-8+,14-11+
InChIKeyRKFKYLCCPMIQKI-BOTKGMRRSA-N
MW197.30 g/mol
LogP3.92
Rot. Bonds4

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

N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine (PubChem CID 170144613) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
PubChem CID170144613
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)C(C)C)C(C)(C)F
InChIInChI=1S/C12H20FN/c1-7-11(12(5,6)13)14-8-10(4)9(2)3/h7-9H,1H2,2-6H3/b10-8+,14-11+
InChIKeyRKFKYLCCPMIQKI-BOTKGMRRSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.92
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 N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine (CID 170144613) is N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine is C=C/C(=N\C=C(/C)C(C)C)C(C)(C)F.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine?
The InChIKey is RKFKYLCCPMIQKI-BOTKGMRRSA-N. The full InChI is InChI=1S/C12H20FN/c1-7-11(12(5,6)13)14-8-10(4)9(2)3/h7-9H,1H2,2-6H3/b10-8+,14-11+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine?
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine has a molecular weight of 197.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine is sourced from PubChem (CID 170144613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).