4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline

C16H16F4N2 — CID 134226766

IUPAC4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline
SMILESNc1cc(CF)c(-c2c(CF)cc(N)cc2CF)c(CF)c1
InChIInChI=1S/C16H16F4N2/c17-5-9-1-13(21)2-10(6-18)15(9)16-11(7-19)3-14(22)4-12(16)8-20/h1-4H,5-8,21-22H2
InChIKeyGKEMBGBYAJSXFE-UHFFFAOYSA-N
MW312.31 g/mol
LogP4.40
Rot. Bonds5

About 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline

4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline (PubChem CID 134226766) has the molecular formula C16H16F4N2 and a molecular weight of 312.31 g/mol. Its IUPAC name is 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline.

Molecular Properties

Compound Name4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline
PubChem CID134226766
Molecular FormulaC16H16F4N2
Molecular Weight312.31 g/mol
Exact Mass312.12
IUPAC Name4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline
SMILESNc1cc(CF)c(-c2c(CF)cc(N)cc2CF)c(CF)c1
InChIInChI=1S/C16H16F4N2/c17-5-9-1-13(21)2-10(6-18)15(9)16-11(7-19)3-14(22)4-12(16)8-20/h1-4H,5-8,21-22H2
InChIKeyGKEMBGBYAJSXFE-UHFFFAOYSA-N
XLogP4.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline?
The IUPAC name of 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline (CID 134226766) is 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline.
What is the SMILES notation for 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline?
The canonical SMILES for 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline is Nc1cc(CF)c(-c2c(CF)cc(N)cc2CF)c(CF)c1.
What is the InChIKey of 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline?
The InChIKey is GKEMBGBYAJSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2/c17-5-9-1-13(21)2-10(6-18)15(9)16-11(7-19)3-14(22)4-12(16)8-20/h1-4H,5-8,21-22H2.
What are the key properties of 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline?
4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline has a molecular weight of 312.31 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline is sourced from PubChem (CID 134226766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).