N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline

C12H16F3N — CID 115257782

IUPACN,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1cc(C)c(N(C)CC(F)(F)F)cc1C
InChIInChI=1S/C12H16F3N/c1-8-5-10(3)11(6-9(8)2)16(4)7-12(13,14)15/h5-6H,7H2,1-4H3
InChIKeyOOMDAFKGJAAISB-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.61
Rot. Bonds2

About N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline

N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257782) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound NameN,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257782
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1cc(C)c(N(C)CC(F)(F)F)cc1C
InChIInChI=1S/C12H16F3N/c1-8-5-10(3)11(6-9(8)2)16(4)7-12(13,14)15/h5-6H,7H2,1-4H3
InChIKeyOOMDAFKGJAAISB-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257782) is N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline is Cc1cc(C)c(N(C)CC(F)(F)F)cc1C.
What is the InChIKey of N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is OOMDAFKGJAAISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8-5-10(3)11(6-9(8)2)16(4)7-12(13,14)15/h5-6H,7H2,1-4H3.
What are the key properties of N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 231.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).