1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine

C9H8BrClFN — CID 117415997

IUPAC1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(Br)ccc(Cl)c2F)CC1
InChIInChI=1S/C9H8BrClFN/c10-5-1-2-6(11)8(12)7(5)9(13)3-4-9/h1-2H,3-4,13H2
InChIKeyXCDZSKRMBSWDGE-UHFFFAOYSA-N
MW264.52 g/mol
LogP3.19
Rot. Bonds1

About 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine

1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine (PubChem CID 117415997) has the molecular formula C9H8BrClFN and a molecular weight of 264.52 g/mol. Its IUPAC name is 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine
PubChem CID117415997
Molecular FormulaC9H8BrClFN
Molecular Weight264.52 g/mol
Exact Mass262.95
IUPAC Name1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine
SMILESNC1(c2c(Br)ccc(Cl)c2F)CC1
InChIInChI=1S/C9H8BrClFN/c10-5-1-2-6(11)8(12)7(5)9(13)3-4-9/h1-2H,3-4,13H2
InChIKeyXCDZSKRMBSWDGE-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 53.19
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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Related Compounds

(1R)-1-(2-bromo-5-chlorophenyl)propan-1-amine hydrochloride
CID 121362480
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
6-Bromo-3-chloro-2-fluorobenzylamine
CID 83409842
1-(2-Bromo-4-fluorophenyl)cyclopropan-1-amine hydrochloride
CID 71743720
1-(2-Bromo-5-fluorophenyl)cyclopropanamine hydrochloride
CID 71743723
(1R)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022360
(1S)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 139022362
1-(4-Bromo-3-chlorophenyl)cyclopropan-1-amine hydrochloride
CID 146049863
1-(3-Chloro-2-fluorophenyl)cyclopropanamine
CID 55264236
1-(3-Chloro-4-fluorophenyl)cyclopropan-1-amine
CID 57359011
1-(2-Bromo-4-fluorophenyl)cyclopropanamine
CID 57445080
1-(2-Bromo-5-fluorophenyl)cyclopropanamine
CID 71743724

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine (CID 117415997) is 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine is NC1(c2c(Br)ccc(Cl)c2F)CC1.
What is the InChIKey of 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine?
The InChIKey is XCDZSKRMBSWDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN/c10-5-1-2-6(11)8(12)7(5)9(13)3-4-9/h1-2H,3-4,13H2.
What are the key properties of 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine?
1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine has a molecular weight of 264.52 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 117415997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).