5-(2-chloro-4-fluoroanilino)pentan-1-ol

C11H15ClFNO — CID 62227146

IUPAC5-(2-chloro-4-fluoroanilino)pentan-1-ol
SMILESOCCCCCNc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7H2
InChIKeyWIQPVJQWZMULGJ-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.05
Rot. Bonds6

About 5-(2-chloro-4-fluoroanilino)pentan-1-ol

5-(2-chloro-4-fluoroanilino)pentan-1-ol (PubChem CID 62227146) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 5-(2-chloro-4-fluoroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-chloro-4-fluoroanilino)pentan-1-ol
PubChem CID62227146
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name5-(2-chloro-4-fluoroanilino)pentan-1-ol
SMILESOCCCCCNc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7H2
InChIKeyWIQPVJQWZMULGJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluoroanilino)pentan-1-ol?
The IUPAC name of 5-(2-chloro-4-fluoroanilino)pentan-1-ol (CID 62227146) is 5-(2-chloro-4-fluoroanilino)pentan-1-ol.
What is the SMILES notation for 5-(2-chloro-4-fluoroanilino)pentan-1-ol?
The canonical SMILES for 5-(2-chloro-4-fluoroanilino)pentan-1-ol is OCCCCCNc1ccc(F)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-fluoroanilino)pentan-1-ol?
The InChIKey is WIQPVJQWZMULGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7H2.
What are the key properties of 5-(2-chloro-4-fluoroanilino)pentan-1-ol?
5-(2-chloro-4-fluoroanilino)pentan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluoroanilino)pentan-1-ol is sourced from PubChem (CID 62227146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).