(Z)-6-bromo-2-fluorohex-4-en-3-imine

C6H9BrFN — CID 90706546

IUPAC(Z)-6-bromo-2-fluorohex-4-en-3-imine
SMILES[H]/N=C(/C=C\CBr)C(C)F
InChIInChI=1S/C6H9BrFN/c1-5(8)6(9)3-2-4-7/h2-3,5,9H,4H2,1H3/b3-2-,9-6-
InChIKeyMYWOZANFHVDTCN-CITLEARMSA-N
MW194.05 g/mol
LogP2.32
Rot. Bonds3

About (Z)-6-bromo-2-fluorohex-4-en-3-imine

(Z)-6-bromo-2-fluorohex-4-en-3-imine (PubChem CID 90706546) has the molecular formula C6H9BrFN and a molecular weight of 194.05 g/mol. Its IUPAC name is (Z)-6-bromo-2-fluorohex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-6-bromo-2-fluorohex-4-en-3-imine
PubChem CID90706546
Molecular FormulaC6H9BrFN
Molecular Weight194.05 g/mol
Exact Mass192.99
IUPAC Name(Z)-6-bromo-2-fluorohex-4-en-3-imine
SMILES[H]/N=C(/C=C\CBr)C(C)F
InChIInChI=1S/C6H9BrFN/c1-5(8)6(9)3-2-4-7/h2-3,5,9H,4H2,1H3/b3-2-,9-6-
InChIKeyMYWOZANFHVDTCN-CITLEARMSA-N
XLogP2.32
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-fluorohex-4-en-3-imine
CID 91325186
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
(4E)-5-fluorohepta-4,6-dien-3-imine
CID 123678972
(Z)-2,6-difluorohept-4-en-3-imine
CID 123953026
(Z)-1,1,1-trifluorohept-4-en-3-imine
CID 132023695
(Z)-1-bromohex-3-en-2-imine
CID 123501839
(3Z,5E)-6-bromohexa-3,5-dien-2-imine
CID 142984206

Frequently Asked Questions

What is the IUPAC name of (Z)-6-bromo-2-fluorohex-4-en-3-imine?
The IUPAC name of (Z)-6-bromo-2-fluorohex-4-en-3-imine (CID 90706546) is (Z)-6-bromo-2-fluorohex-4-en-3-imine.
What is the SMILES notation for (Z)-6-bromo-2-fluorohex-4-en-3-imine?
The canonical SMILES for (Z)-6-bromo-2-fluorohex-4-en-3-imine is [H]/N=C(/C=C\CBr)C(C)F.
What is the InChIKey of (Z)-6-bromo-2-fluorohex-4-en-3-imine?
The InChIKey is MYWOZANFHVDTCN-CITLEARMSA-N. The full InChI is InChI=1S/C6H9BrFN/c1-5(8)6(9)3-2-4-7/h2-3,5,9H,4H2,1H3/b3-2-,9-6-.
What are the key properties of (Z)-6-bromo-2-fluorohex-4-en-3-imine?
(Z)-6-bromo-2-fluorohex-4-en-3-imine has a molecular weight of 194.05 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-2-fluorohex-4-en-3-imine is sourced from PubChem (CID 90706546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).