3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine

C11H10BrClFN — CID 106763480

IUPAC3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine
SMILESNC1C=C(c2ccc(Br)c(Cl)c2F)CC1
InChIInChI=1S/C11H10BrClFN/c12-9-4-3-8(11(14)10(9)13)6-1-2-7(15)5-6/h3-5,7H,1-2,15H2
InChIKeySPMMCEUQANLBQL-UHFFFAOYSA-N
MW290.56 g/mol
LogP3.75
Rot. Bonds1

About 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine

3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine (PubChem CID 106763480) has the molecular formula C11H10BrClFN and a molecular weight of 290.56 g/mol. Its IUPAC name is 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine
PubChem CID106763480
Molecular FormulaC11H10BrClFN
Molecular Weight290.56 g/mol
Exact Mass288.97
IUPAC Name3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine
SMILESNC1C=C(c2ccc(Br)c(Cl)c2F)CC1
InChIInChI=1S/C11H10BrClFN/c12-9-4-3-8(11(14)10(9)13)6-1-2-7(15)5-6/h3-5,7H,1-2,15H2
InChIKeySPMMCEUQANLBQL-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
2-(4-bromo-3-chloro-2-fluorophenyl)aniline
CID 106763141
(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
CID 112743426
3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298493
3-[4-(2-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298492
[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
CID 106763212
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106764465
2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 106763335
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
CID 167530137
4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 106763727
2-(4-bromo-3-chloro-2-fluorophenyl)pyridin-3-ol
CID 106763882

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine (CID 106763480) is 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine is NC1C=C(c2ccc(Br)c(Cl)c2F)CC1.
What is the InChIKey of 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine?
The InChIKey is SPMMCEUQANLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFN/c12-9-4-3-8(11(14)10(9)13)6-1-2-7(15)5-6/h3-5,7H,1-2,15H2.
What are the key properties of 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine?
3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine has a molecular weight of 290.56 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chloro-2-fluorophenyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 106763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).