2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

C10H9Cl2F4NO — CID 83078949

IUPAC2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESFc1cc(Cl)c(NCCOCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9Cl2F4NO/c11-7-3-6(13)4-8(12)9(7)17-1-2-18-5-10(14,15)16/h3-4,17H,1-2,5H2
InChIKeyGPHFHKXDWNMPQZ-UHFFFAOYSA-N
MW306.09 g/mol
LogP4.12
Rot. Bonds5

About 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 83078949) has the molecular formula C10H9Cl2F4NO and a molecular weight of 306.09 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
PubChem CID83078949
Molecular FormulaC10H9Cl2F4NO
Molecular Weight306.09 g/mol
Exact Mass305.00
IUPAC Name2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESFc1cc(Cl)c(NCCOCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9Cl2F4NO/c11-7-3-6(13)4-8(12)9(7)17-1-2-18-5-10(14,15)16/h3-4,17H,1-2,5H2
InChIKeyGPHFHKXDWNMPQZ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 63487839
2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103179366
2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 66253887
5,7-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65475630
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
CID 61492678
3,5-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 60730538
3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 102762081
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
2-chloro-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,4-diamine
CID 115554980
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54961642
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63827023

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 83078949) is 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is Fc1cc(Cl)c(NCCOCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The InChIKey is GPHFHKXDWNMPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F4NO/c11-7-3-6(13)4-8(12)9(7)17-1-2-18-5-10(14,15)16/h3-4,17H,1-2,5H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 306.09 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 83078949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).