4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

C11H11BrF4N2 — CID 116735744

IUPAC4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF4N2/c12-7-3-10(9(17)4-8(7)13)18(6-1-2-6)5-11(14,15)16/h3-4,6H,1-2,5,17H2
InChIKeyGFALNNUOHGUEOW-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.70
Rot. Bonds3

About 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (PubChem CID 116735744) has the molecular formula C11H11BrF4N2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
PubChem CID116735744
Molecular FormulaC11H11BrF4N2
Molecular Weight327.12 g/mol
Exact Mass326.00
IUPAC Name4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF4N2/c12-7-3-10(9(17)4-8(7)13)18(6-1-2-6)5-11(14,15)16/h3-4,6H,1-2,5,17H2
InChIKeyGFALNNUOHGUEOW-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733
1-N-cyclopropyl-2-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 55011299
1-N-benzyl-4-bromo-1-N-cyclopropyl-5-fluorobenzene-1,2-diamine
CID 66112076
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55236190
4-bromo-5-fluoro-1-N-propyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 66109551
5-chloro-1-N-cyclopropyl-6-fluoro-1-N-(2,2,2-trifluoroethyl)benzene-1,2,4-triamine
CID 103552923
2-bromo-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzenecarbothioamide
CID 114882234
4-bromo-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzenecarbothioamide
CID 114903042
2-bromo-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarbothioamide
CID 107534949
4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 116735634
4-bromo-2-N-(1-cyclopropylethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (CID 116735744) is 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is Nc1cc(F)c(Br)cc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The InChIKey is GFALNNUOHGUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4N2/c12-7-3-10(9(17)4-8(7)13)18(6-1-2-6)5-11(14,15)16/h3-4,6H,1-2,5,17H2.
What are the key properties of 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine has a molecular weight of 327.12 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is sourced from PubChem (CID 116735744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).