N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline

C18H9F12N — CID 46221096

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline
SMILESC=CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H9F12N/c1-2-31(13-5-9(15(19,20)21)3-10(6-13)16(22,23)24)14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h2-8H,1H2
InChIKeyYDMBFSAVHCIVKV-UHFFFAOYSA-N
MW467.25 g/mol
LogP8.04
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline

N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline (PubChem CID 46221096) has the molecular formula C18H9F12N and a molecular weight of 467.25 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline
PubChem CID46221096
Molecular FormulaC18H9F12N
Molecular Weight467.25 g/mol
Exact Mass467.05
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline
SMILESC=CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H9F12N/c1-2-31(13-5-9(15(19,20)21)3-10(6-13)16(22,23)24)14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h2-8H,1H2
InChIKeyYDMBFSAVHCIVKV-UHFFFAOYSA-N
XLogP8.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.25
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline (CID 46221096) is N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline is C=CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline?
The InChIKey is YDMBFSAVHCIVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F12N/c1-2-31(13-5-9(15(19,20)21)3-10(6-13)16(22,23)24)14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h2-8H,1H2.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline?
N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline has a molecular weight of 467.25 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 46221096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).