N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine

C7H10FN — CID 142931568

IUPACN-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
SMILESC=C(F)/C=N/C(C)=C\C
InChIInChI=1S/C7H10FN/c1-4-7(3)9-5-6(2)8/h4-5H,2H2,1,3H3/b7-4-,9-5+
InChIKeyBCDZFEQAUXYLQL-ICDOWURLSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine

N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine (PubChem CID 142931568) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
PubChem CID142931568
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
SMILESC=C(F)/C=N/C(C)=C\C
InChIInChI=1S/C7H10FN/c1-4-7(3)9-5-6(2)8/h4-5H,2H2,1,3H3/b7-4-,9-5+
InChIKeyBCDZFEQAUXYLQL-ICDOWURLSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
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-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine (CID 142931568) is N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine is C=C(F)/C=N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine?
The InChIKey is BCDZFEQAUXYLQL-ICDOWURLSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-7(3)9-5-6(2)8/h4-5H,2H2,1,3H3/b7-4-,9-5+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine?
N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine is sourced from PubChem (CID 142931568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).