3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine

C11H14ClFN2 — CID 107364181

IUPAC3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H14ClFN2/c12-7-3-8(13)5-11(4-7)15-10-2-1-9(14)6-10/h3-5,9-10,15H,1-2,6,14H2
InChIKeyPAPLAGQCCLBUDN-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.77
Rot. Bonds2

About 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine

3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine (PubChem CID 107364181) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
PubChem CID107364181
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H14ClFN2/c12-7-3-8(13)5-11(4-7)15-10-2-1-9(14)6-10/h3-5,9-10,15H,1-2,6,14H2
InChIKeyPAPLAGQCCLBUDN-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine (CID 107364181) is 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine is NC1CCC(Nc2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine?
The InChIKey is PAPLAGQCCLBUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-7-3-8(13)5-11(4-7)15-10-2-1-9(14)6-10/h3-5,9-10,15H,1-2,6,14H2.
What are the key properties of 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine?
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine has a molecular weight of 228.70 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 107364181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).