1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine

C10H11BrF2N2 — CID 102853239

IUPAC1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2cc(Br)c(F)cc2F)C1
InChIInChI=1S/C10H11BrF2N2/c11-7-3-10(9(13)4-8(7)12)15-6-1-5(14)2-6/h3-6,15H,1-2,14H2
InChIKeyPXPXTSOMEYITMR-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.63
Rot. Bonds2

About 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine

1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine (PubChem CID 102853239) has the molecular formula C10H11BrF2N2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine
PubChem CID102853239
Molecular FormulaC10H11BrF2N2
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2cc(Br)c(F)cc2F)C1
InChIInChI=1S/C10H11BrF2N2/c11-7-3-10(9(13)4-8(7)12)15-6-1-5(14)2-6/h3-6,15H,1-2,14H2
InChIKeyPXPXTSOMEYITMR-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine
CID 107591345
N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 102852892
5-[(3-aminocyclobutyl)amino]-2,4-difluorobenzoic acid
CID 80560599
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
CID 116736273
5-bromo-2,4-difluoro-N-(4-methoxycyclohexyl)aniline
CID 102852647
N-(5-bromo-2,4-difluorophenyl)oxan-3-amine
CID 102852792
4-bromo-2,5-difluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 107609598
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102853225
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
CID 80560844
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
4-bromo-2-N-(4,4-dimethylcyclohexyl)-5-fluorobenzene-1,2-diamine
CID 116735998

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine (CID 102853239) is 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine is NC1CC(Nc2cc(Br)c(F)cc2F)C1.
What is the InChIKey of 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine?
The InChIKey is PXPXTSOMEYITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2/c11-7-3-10(9(13)4-8(7)12)15-6-1-5(14)2-6/h3-6,15H,1-2,14H2.
What are the key properties of 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine?
1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine has a molecular weight of 277.11 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 102853239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).