3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine

C11H13Cl2FN2 — CID 83076893

IUPAC3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2c(Cl)cc(F)cc2Cl)C1
InChIInChI=1S/C11H13Cl2FN2/c12-9-3-6(14)4-10(13)11(9)16-8-2-1-7(15)5-8/h3-4,7-8,16H,1-2,5,15H2
InChIKeyNHXMSUJTNUESMH-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.42
Rot. Bonds2

About 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine

3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine (PubChem CID 83076893) has the molecular formula C11H13Cl2FN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine
PubChem CID83076893
Molecular FormulaC11H13Cl2FN2
Molecular Weight263.14 g/mol
Exact Mass262.04
IUPAC Name3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2c(Cl)cc(F)cc2Cl)C1
InChIInChI=1S/C11H13Cl2FN2/c12-9-3-6(14)4-10(13)11(9)16-8-2-1-7(15)5-8/h3-4,7-8,16H,1-2,5,15H2
InChIKeyNHXMSUJTNUESMH-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine (CID 83076893) is 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine is NC1CCC(Nc2c(Cl)cc(F)cc2Cl)C1.
What is the InChIKey of 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine?
The InChIKey is NHXMSUJTNUESMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2/c12-9-3-6(14)4-10(13)11(9)16-8-2-1-7(15)5-8/h3-4,7-8,16H,1-2,5,15H2.
What are the key properties of 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine?
3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine has a molecular weight of 263.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dichloro-4-fluorophenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 83076893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).