(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine

C8H12FN — CID 166865280

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

About (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine

(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine (PubChem CID 166865280) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine
PubChem CID166865280
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine
SMILESC/C=C\C(C)=N\C=C(/C)F
InChIInChI=1S/C8H12FN/c1-4-5-8(3)10-6-7(2)9/h4-6H,1-3H3/b5-4-,7-6+,10-8+
InChIKeyGWXDYTKMBKTGOL-WEYQCMQXSA-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 (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine?
The IUPAC name of (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine (CID 166865280) is (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine?
The canonical SMILES for (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine is C/C=C\C(C)=N\C=C(/C)F.
What is the InChIKey of (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine?
The InChIKey is GWXDYTKMBKTGOL-WEYQCMQXSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-5-8(3)10-6-7(2)9/h4-6H,1-3H3/b5-4-,7-6+,10-8+.
What are the key properties of (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine?
(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-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 (Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine is sourced from PubChem (CID 166865280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).