1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine

C9H6BrClF3N — CID 117112469

IUPAC1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(F)c(F)c(Cl)c(F)c2Br)CC1
InChIInChI=1S/C9H6BrClF3N/c10-4-3(9(15)1-2-9)6(12)8(14)5(11)7(4)13/h1-2,15H2
InChIKeyMHDZUOAWFWXOEC-UHFFFAOYSA-N
MW300.50 g/mol
LogP3.47
Rot. Bonds1

About 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine

1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine (PubChem CID 117112469) has the molecular formula C9H6BrClF3N and a molecular weight of 300.50 g/mol. Its IUPAC name is 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine
PubChem CID117112469
Molecular FormulaC9H6BrClF3N
Molecular Weight300.50 g/mol
Exact Mass298.93
IUPAC Name1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(F)c(F)c(Cl)c(F)c2Br)CC1
InChIInChI=1S/C9H6BrClF3N/c10-4-3(9(15)1-2-9)6(12)8(14)5(11)7(4)13/h1-2,15H2
InChIKeyMHDZUOAWFWXOEC-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2-Bromo-4-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446804
1-(5-Bromo-4-chloro-2-fluorophenyl)cyclopropan-1-amine
CID 84807440
1-(2-Bromo-4-chloro-6-fluorophenyl)cyclopropan-1-amine
CID 84807442
2-(2-Bromo-4-chloro-6-fluorophenyl)propan-2-amine
CID 84807959
1-[2-(2-Bromo-4-chloro-6-fluorophenyl)ethyl]cyclopropan-1-amine
CID 105527103
2-(2-Bromo-4-chloro-3,5,6-trifluorophenyl)propan-1-amine
CID 115113264
3-(2-Bromo-4-chloro-3,5,6-trifluorophenyl)propan-1-amine
CID 115113375
3-(2-Bromo-4-chloro-3,5,6-trifluorophenyl)butan-1-amine
CID 117107366
(2-Bromo-4-chloro-3,5,6-trifluorophenyl)methanamine
CID 117110804
2-(2-Bromo-4-chloro-3,5,6-trifluorophenyl)ethanamine
CID 117110899
1-(2-Bromo-4-chloro-3,5,6-trifluorophenyl)ethanamine
CID 117110996
1-(2-Bromo-4-chloro-3,5,6-trifluorophenyl)propan-2-amine
CID 117111357

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine (CID 117112469) is 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine is NC1(c2c(F)c(F)c(Cl)c(F)c2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine?
The InChIKey is MHDZUOAWFWXOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3N/c10-4-3(9(15)1-2-9)6(12)8(14)5(11)7(4)13/h1-2,15H2.
What are the key properties of 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine?
1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine has a molecular weight of 300.50 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 117112469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).