(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane

C9H15BrFN — CID 162730109

IUPAC(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane
SMILESC=C(Br)/N=C(/CC)C(=C)F.CC
InChIInChI=1S/C7H9BrFN.C2H6/c1-4-7(5(2)9)10-6(3)8;1-2/h2-4H2,1H3;1-2H3/b10-7-;
InChIKeyBGROGXUSNWVUNH-VEZAGKLZSA-N
MW236.13 g/mol
LogP4.21
Rot. Bonds3

About (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane

(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane (PubChem CID 162730109) has the molecular formula C9H15BrFN and a molecular weight of 236.13 g/mol. Its IUPAC name is (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane.

Molecular Properties

Compound Name(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane
PubChem CID162730109
Molecular FormulaC9H15BrFN
Molecular Weight236.13 g/mol
Exact Mass235.04
IUPAC Name(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane
SMILESC=C(Br)/N=C(/CC)C(=C)F.CC
InChIInChI=1S/C7H9BrFN.C2H6/c1-4-7(5(2)9)10-6(3)8;1-2/h2-4H2,1H3;1-2H3/b10-7-;
InChIKeyBGROGXUSNWVUNH-VEZAGKLZSA-N
XLogP4.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane?
The IUPAC name of (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane (CID 162730109) is (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane.
What is the SMILES notation for (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane?
The canonical SMILES for (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane is C=C(Br)/N=C(/CC)C(=C)F.CC.
What is the InChIKey of (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane?
The InChIKey is BGROGXUSNWVUNH-VEZAGKLZSA-N. The full InChI is InChI=1S/C7H9BrFN.C2H6/c1-4-7(5(2)9)10-6(3)8;1-2/h2-4H2,1H3;1-2H3/b10-7-;.
What are the key properties of (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane?
(Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane has a molecular weight of 236.13 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-bromoethenyl)-2-fluoropent-1-en-3-imine;ethane is sourced from PubChem (CID 162730109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).