(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine

C8H12FN — CID 142010094

IUPAC(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C\C(C)=C(/C)F
InChIInChI=1S/C8H12FN/c1-4-5-10-6-7(2)8(3)9/h4-6H,1-3H3/b5-4-,8-7+,10-6+
InChIKeyWZXRBWWCMZQZAY-JNERYJHVSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds2

About (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine

(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine (PubChem CID 142010094) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
PubChem CID142010094
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C\C(C)=C(/C)F
InChIInChI=1S/C8H12FN/c1-4-5-10-6-7(2)8(3)9/h4-6H,1-3H3/b5-4-,8-7+,10-6+
InChIKeyWZXRBWWCMZQZAY-JNERYJHVSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
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)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The IUPAC name of (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine (CID 142010094) is (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The canonical SMILES for (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine is C/C=C\N=C\C(C)=C(/C)F.
What is the InChIKey of (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The InChIKey is WZXRBWWCMZQZAY-JNERYJHVSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-5-10-6-7(2)8(3)9/h4-6H,1-3H3/b5-4-,8-7+,10-6+.
What are the key properties of (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 142010094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).