4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine

C11H14ClFN2 — CID 66077964

IUPAC4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1NC1CCCC1
InChIInChI=1S/C11H14ClFN2/c12-8-5-10(14)11(6-9(8)13)15-7-3-1-2-4-7/h5-7,15H,1-4,14H2
InChIKeyOEHUYZCOOTZTQN-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine

4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine (PubChem CID 66077964) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
PubChem CID66077964
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(F)cc1NC1CCCC1
InChIInChI=1S/C11H14ClFN2/c12-8-5-10(14)11(6-9(8)13)15-7-3-1-2-4-7/h5-7,15H,1-4,14H2
InChIKeyOEHUYZCOOTZTQN-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine (CID 66077964) is 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine is Nc1cc(Cl)c(F)cc1NC1CCCC1.
What is the InChIKey of 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine?
The InChIKey is OEHUYZCOOTZTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-8-5-10(14)11(6-9(8)13)15-7-3-1-2-4-7/h5-7,15H,1-4,14H2.
What are the key properties of 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine?
4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine has a molecular weight of 228.70 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 4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 66077964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).