N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline

C18H14F12N2Si — CID 18328539

IUPACN-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline
SMILESC[Si](C)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F12N2Si/c1-33(2,31-13-5-9(15(19,20)21)3-10(6-13)16(22,23)24)32-14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h3-8,31-32H,1-2H3
InChIKeyNRPRNTPHCJZOOH-UHFFFAOYSA-N
MW514.39 g/mol
LogP7.99
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline

N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline (PubChem CID 18328539) has the molecular formula C18H14F12N2Si and a molecular weight of 514.39 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline
PubChem CID18328539
Molecular FormulaC18H14F12N2Si
Molecular Weight514.39 g/mol
Exact Mass514.07
IUPAC NameN-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline
SMILESC[Si](C)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F12N2Si/c1-33(2,31-13-5-9(15(19,20)21)3-10(6-13)16(22,23)24)32-14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h3-8,31-32H,1-2H3
InChIKeyNRPRNTPHCJZOOH-UHFFFAOYSA-N
XLogP7.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.39
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
CID 131522513
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014
bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
CID 171930237
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
N-ethenyl-3,5-bis(trifluoromethyl)aniline
CID 163887176
N-bis[3,5-bis(trifluoromethyl)anilino]phosphoryl-3,5-bis(trifluoromethyl)aniline
CID 102421192
3,4-bis[3,5-bis(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dithione
CID 171057092
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
6-amino-4-[3,5-bis(trifluoromethyl)anilino]-1H-1,3,5-triazin-2-one
CID 135521180
N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 118028245
N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 2805852

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline (CID 18328539) is N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline is C[Si](C)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline?
The InChIKey is NRPRNTPHCJZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F12N2Si/c1-33(2,31-13-5-9(15(19,20)21)3-10(6-13)16(22,23)24)32-14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h3-8,31-32H,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline?
N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline has a molecular weight of 514.39 g/mol, XLogP of 7.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 18328539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).