3-chloro-N,N-diethyl-5-fluoroaniline

C10H13ClFN — CID 6425011

IUPAC3-chloro-N,N-diethyl-5-fluoroaniline
SMILESCCN(CC)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-3-13(4-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyWTZJOTORMLBVLN-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.33
Rot. Bonds3

About 3-chloro-N,N-diethyl-5-fluoroaniline

3-chloro-N,N-diethyl-5-fluoroaniline (PubChem CID 6425011) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-5-fluoroaniline
PubChem CID6425011
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-chloro-N,N-diethyl-5-fluoroaniline
SMILESCCN(CC)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-3-13(4-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyWTZJOTORMLBVLN-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-5-fluoroaniline?
The IUPAC name of 3-chloro-N,N-diethyl-5-fluoroaniline (CID 6425011) is 3-chloro-N,N-diethyl-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N,N-diethyl-5-fluoroaniline?
The canonical SMILES for 3-chloro-N,N-diethyl-5-fluoroaniline is CCN(CC)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N,N-diethyl-5-fluoroaniline?
The InChIKey is WTZJOTORMLBVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-3-13(4-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N,N-diethyl-5-fluoroaniline?
3-chloro-N,N-diethyl-5-fluoroaniline has a molecular weight of 201.67 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-5-fluoroaniline is sourced from PubChem (CID 6425011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).