2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline

C14H11ClF3N — CID 6426036

IUPAC2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline
SMILESCCNc1c(F)cc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H11ClF3N/c1-2-19-14-12(15)5-9(6-13(14)18)8-3-10(16)7-11(17)4-8/h3-7,19H,2H2,1H3
InChIKeyDHBMORNIVSRWLM-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.86
Rot. Bonds3

About 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline

2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline (PubChem CID 6426036) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline.

Molecular Properties

Compound Name2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline
PubChem CID6426036
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline
SMILESCCNc1c(F)cc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H11ClF3N/c1-2-19-14-12(15)5-9(6-13(14)18)8-3-10(16)7-11(17)4-8/h3-7,19H,2H2,1H3
InChIKeyDHBMORNIVSRWLM-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline?
The IUPAC name of 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline (CID 6426036) is 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline.
What is the SMILES notation for 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline?
The canonical SMILES for 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline is CCNc1c(F)cc(-c2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline?
The InChIKey is DHBMORNIVSRWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-2-19-14-12(15)5-9(6-13(14)18)8-3-10(16)7-11(17)4-8/h3-7,19H,2H2,1H3.
What are the key properties of 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline?
2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline has a molecular weight of 285.70 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-difluorophenyl)-N-ethyl-6-fluoroaniline is sourced from PubChem (CID 6426036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).