1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine

C10H10BrClFN — CID 117446809

IUPAC1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(Br)cc(F)c2Cl)CC1
InChIInChI=1S/C10H10BrClFN/c11-7-3-6(5-10(14)1-2-10)9(12)8(13)4-7/h3-4H,1-2,5,14H2
InChIKeyGXRPVGFCZLGZST-UHFFFAOYSA-N
MW278.55 g/mol
LogP3.28
Rot. Bonds2

About 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine

1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 117446809) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
PubChem CID117446809
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(Br)cc(F)c2Cl)CC1
InChIInChI=1S/C10H10BrClFN/c11-7-3-6(5-10(14)1-2-10)9(12)8(13)4-7/h3-4H,1-2,5,14H2
InChIKeyGXRPVGFCZLGZST-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine (CID 117446809) is 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2cc(Br)cc(F)c2Cl)CC1.
What is the InChIKey of 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is GXRPVGFCZLGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-7-3-6(5-10(14)1-2-10)9(12)8(13)4-7/h3-4H,1-2,5,14H2.
What are the key properties of 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine?
1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 278.55 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117446809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).