(Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine

C8H13BrFN — CID 174070371

IUPAC(Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine
SMILESCC(/C=C\C(C)Br)=NC(C)F
InChIInChI=1S/C8H13BrFN/c1-6(9)4-5-7(2)11-8(3)10/h4-6,8H,1-3H3/b5-4-,11-7?
InChIKeyLTFDBJNCXJKPNW-AYAOXRSRSA-N
MW222.10 g/mol
LogP3.10
Rot. Bonds3

About (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine

(Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine (PubChem CID 174070371) has the molecular formula C8H13BrFN and a molecular weight of 222.10 g/mol. Its IUPAC name is (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine
PubChem CID174070371
Molecular FormulaC8H13BrFN
Molecular Weight222.10 g/mol
Exact Mass221.02
IUPAC Name(Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine
SMILESCC(/C=C\C(C)Br)=NC(C)F
InChIInChI=1S/C8H13BrFN/c1-6(9)4-5-7(2)11-8(3)10/h4-6,8H,1-3H3/b5-4-,11-7?
InChIKeyLTFDBJNCXJKPNW-AYAOXRSRSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine?
The IUPAC name of (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine (CID 174070371) is (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine.
What is the SMILES notation for (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine?
The canonical SMILES for (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine is CC(/C=C\C(C)Br)=NC(C)F.
What is the InChIKey of (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine?
The InChIKey is LTFDBJNCXJKPNW-AYAOXRSRSA-N. The full InChI is InChI=1S/C8H13BrFN/c1-6(9)4-5-7(2)11-8(3)10/h4-6,8H,1-3H3/b5-4-,11-7?.
What are the key properties of (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine?
(Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine has a molecular weight of 222.10 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine is sourced from PubChem (CID 174070371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).