N-(4-fluoro-2-methylphenyl)propanimidoyl bromide

C10H11BrFN — CID 154643488

IUPACN-(4-fluoro-2-methylphenyl)propanimidoyl bromide
SMILESCC/C(Br)=N/c1ccc(F)cc1C
InChIInChI=1S/C10H11BrFN/c1-3-10(11)13-9-5-4-8(12)6-7(9)2/h4-6H,3H2,1-2H3/b13-10-
InChIKeyARUJLVUVXAPFJG-RAXLEYEMSA-N
MW244.11 g/mol
LogP3.97
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)propanimidoyl bromide

N-(4-fluoro-2-methylphenyl)propanimidoyl bromide (PubChem CID 154643488) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)propanimidoyl bromide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)propanimidoyl bromide
PubChem CID154643488
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC NameN-(4-fluoro-2-methylphenyl)propanimidoyl bromide
SMILESCC/C(Br)=N/c1ccc(F)cc1C
InChIInChI=1S/C10H11BrFN/c1-3-10(11)13-9-5-4-8(12)6-7(9)2/h4-6H,3H2,1-2H3/b13-10-
InChIKeyARUJLVUVXAPFJG-RAXLEYEMSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.97
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

(4-fluoro-2-methylphenyl) propanedithioate
CID 129075399
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-bromo-4-fluoro-2-methylbenzene;difluoromethane
CID 160708102
2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 4164065
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
4-fluoro-2-methylphenol;zirconium
CID 174391374
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
1-(4-fluorophenyl)-N-methylpropan-1-imine
CID 142869606
1-(2-bromoethyl)-4-fluoro-2-methylbenzene
CID 62802439
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)propanimidoyl bromide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)propanimidoyl bromide (CID 154643488) is N-(4-fluoro-2-methylphenyl)propanimidoyl bromide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)propanimidoyl bromide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)propanimidoyl bromide is CC/C(Br)=N/c1ccc(F)cc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)propanimidoyl bromide?
The InChIKey is ARUJLVUVXAPFJG-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-3-10(11)13-9-5-4-8(12)6-7(9)2/h4-6H,3H2,1-2H3/b13-10-.
What are the key properties of N-(4-fluoro-2-methylphenyl)propanimidoyl bromide?
N-(4-fluoro-2-methylphenyl)propanimidoyl bromide has a molecular weight of 244.11 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)propanimidoyl bromide is sourced from PubChem (CID 154643488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).