5-butoxy-4-chloro-2-fluoroaniline

C10H13ClFNO — CID 19047184

IUPAC5-butoxy-4-chloro-2-fluoroaniline
SMILESCCCCOc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c1-2-3-4-14-10-6-9(13)8(12)5-7(10)11/h5-6H,2-4,13H2,1H3
InChIKeySLCQSDOREVKEPU-UHFFFAOYSA-N
MW217.67 g/mol
LogP3.24
Rot. Bonds4

About 5-butoxy-4-chloro-2-fluoroaniline

5-butoxy-4-chloro-2-fluoroaniline (PubChem CID 19047184) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 5-butoxy-4-chloro-2-fluoroaniline.

Molecular Properties

Compound Name5-butoxy-4-chloro-2-fluoroaniline
PubChem CID19047184
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name5-butoxy-4-chloro-2-fluoroaniline
SMILESCCCCOc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c1-2-3-4-14-10-6-9(13)8(12)5-7(10)11/h5-6H,2-4,13H2,1H3
InChIKeySLCQSDOREVKEPU-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-4-chloro-2-fluoroaniline?
The IUPAC name of 5-butoxy-4-chloro-2-fluoroaniline (CID 19047184) is 5-butoxy-4-chloro-2-fluoroaniline.
What is the SMILES notation for 5-butoxy-4-chloro-2-fluoroaniline?
The canonical SMILES for 5-butoxy-4-chloro-2-fluoroaniline is CCCCOc1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-butoxy-4-chloro-2-fluoroaniline?
The InChIKey is SLCQSDOREVKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-3-4-14-10-6-9(13)8(12)5-7(10)11/h5-6H,2-4,13H2,1H3.
What are the key properties of 5-butoxy-4-chloro-2-fluoroaniline?
5-butoxy-4-chloro-2-fluoroaniline has a molecular weight of 217.67 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-4-chloro-2-fluoroaniline is sourced from PubChem (CID 19047184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).