4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline

C14H10BrF3N2 — CID 137453774

IUPAC4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline
SMILESNc1ccc(Br)c(F)c1/C=N/Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF3N2/c15-12-1-2-13(19)11(14(12)18)7-20-6-8-3-9(16)5-10(17)4-8/h1-5,7H,6,19H2/b20-7+
InChIKeyQCAUFIKCTNUERB-IFRROFPPSA-N
MW343.15 g/mol
LogP4.07
Rot. Bonds3

About 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline

4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline (PubChem CID 137453774) has the molecular formula C14H10BrF3N2 and a molecular weight of 343.15 g/mol. Its IUPAC name is 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline
PubChem CID137453774
Molecular FormulaC14H10BrF3N2
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline
SMILESNc1ccc(Br)c(F)c1/C=N/Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF3N2/c15-12-1-2-13(19)11(14(12)18)7-20-6-8-3-9(16)5-10(17)4-8/h1-5,7H,6,19H2/b20-7+
InChIKeyQCAUFIKCTNUERB-IFRROFPPSA-N
XLogP4.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzylidene-4-bromoaniline
CID 262176
(2-Amino-5-bromophenyl)(phenyl)methanone hydrazone
CID 5378323
p-Methylbenzylidene-(4-bromophenyl)-amine
CID 525717
p-Bromobenzylidene-(4-bromophenyl)-amine
CID 525659
Benzaldehyde, p-fluoro-, (p-bromophenyl)hydrazone
CID 9578596
Benzaldehyde, m-fluoro-, (p-bromophenyl)hydrazone
CID 9578597
N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 2797496
N-[(4-Bromophenyl)methylene]-4-fluorobenzenamine
CID 904271
1-(3-bromophenyl)-N-phenylmethanimine
CID 459280
2-Amino-5-bromobenzophenone hydrazone
CID 625740
N-[(E)-(3-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 9646902
4-Bromo-N-(4-fluorobenzylidene)-aniline
CID 961544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline?
The IUPAC name of 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline (CID 137453774) is 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline.
What is the SMILES notation for 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline?
The canonical SMILES for 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline is Nc1ccc(Br)c(F)c1/C=N/Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline?
The InChIKey is QCAUFIKCTNUERB-IFRROFPPSA-N. The full InChI is InChI=1S/C14H10BrF3N2/c15-12-1-2-13(19)11(14(12)18)7-20-6-8-3-9(16)5-10(17)4-8/h1-5,7H,6,19H2/b20-7+.
What are the key properties of 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline?
4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline has a molecular weight of 343.15 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3,5-difluorophenyl)methyliminomethyl]-3-fluoroaniline is sourced from PubChem (CID 137453774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).