4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline

C10H13ClFN — CID 143095408

IUPAC4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
SMILESCCN(C)c1cc(C)c(Cl)cc1F
InChIInChI=1S/C10H13ClFN/c1-4-13(3)10-5-7(2)8(11)6-9(10)12/h5-6H,4H2,1-3H3
InChIKeyXDAHCNRKIYHXOX-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.24
Rot. Bonds2

About 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline

4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline (PubChem CID 143095408) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
PubChem CID143095408
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
SMILESCCN(C)c1cc(C)c(Cl)cc1F
InChIInChI=1S/C10H13ClFN/c1-4-13(3)10-5-7(2)8(11)6-9(10)12/h5-6H,4H2,1-3H3
InChIKeyXDAHCNRKIYHXOX-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline (CID 143095408) is 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline is CCN(C)c1cc(C)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
The InChIKey is XDAHCNRKIYHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-4-13(3)10-5-7(2)8(11)6-9(10)12/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline?
4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline has a molecular weight of 201.67 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline is sourced from PubChem (CID 143095408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).