N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine

C14H16BrClFN — CID 154932995

IUPACN-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine
SMILESC=C(Cl)c1cc(Br)cc(F)c1/N=C(\C)C(C)CC
InChIInChI=1S/C14H16BrClFN/c1-5-8(2)10(4)18-14-12(9(3)16)6-11(15)7-13(14)17/h6-8H,3,5H2,1-2,4H3/b18-10+
InChIKeyVABWTNSPFMZEGZ-VCHYOVAHSA-N
MW332.64 g/mol
LogP5.94
Rot. Bonds4

About N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine

N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine (PubChem CID 154932995) has the molecular formula C14H16BrClFN and a molecular weight of 332.64 g/mol. Its IUPAC name is N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine.

Molecular Properties

Compound NameN-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine
PubChem CID154932995
Molecular FormulaC14H16BrClFN
Molecular Weight332.64 g/mol
Exact Mass331.01
IUPAC NameN-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine
SMILESC=C(Cl)c1cc(Br)cc(F)c1/N=C(\C)C(C)CC
InChIInChI=1S/C14H16BrClFN/c1-5-8(2)10(4)18-14-12(9(3)16)6-11(15)7-13(14)17/h6-8H,3,5H2,1-2,4H3/b18-10+
InChIKeyVABWTNSPFMZEGZ-VCHYOVAHSA-N
XLogP5.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.64
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-Bromo-2-chloro-3-(chloromethyl)-9-fluoro-4-methyl-5,6-dihydro-1-benzazocine
CID 91538075
N-(4-bromo-5-fluoro-2-methylphenyl)-5-methyloctan-4-imine
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2-(4-Bromo-5-fluoro-2-methylphenyl)iminopentan-1-amine
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N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine
CID 126555059
N-(4-bromo-5-fluoro-2-methylphenyl)-5-[2-(2-chloropropyl)phenyl]-3-methylpentan-2-imine
CID 126556441
5-Bromo-7-fluoro-2,3,3-trimethylindole
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5-Bromo-3,3-diethyl-7-fluoro-2-methylindole
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N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride
CID 146259735
6-bromo-3-fluoro-1-methyl-1H-carbazole
CID 150527151
5'-Bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]
CID 155429488
5'-Bromo-7'-fluoro-2'-propan-2-ylspiro[cyclohexane-1,3'-indole]
CID 169721536
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CID 169721897

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine?
The IUPAC name of N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine (CID 154932995) is N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine.
What is the SMILES notation for N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine?
The canonical SMILES for N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine is C=C(Cl)c1cc(Br)cc(F)c1/N=C(\C)C(C)CC.
What is the InChIKey of N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine?
The InChIKey is VABWTNSPFMZEGZ-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H16BrClFN/c1-5-8(2)10(4)18-14-12(9(3)16)6-11(15)7-13(14)17/h6-8H,3,5H2,1-2,4H3/b18-10+.
What are the key properties of N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine?
N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine has a molecular weight of 332.64 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(1-chloroethenyl)-6-fluorophenyl]-3-methylpentan-2-imine is sourced from PubChem (CID 154932995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).