N-ethenyl-3,5-bis(trifluoromethyl)aniline

C10H7F6N — CID 163887176

IUPACN-ethenyl-3,5-bis(trifluoromethyl)aniline
SMILESC=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6N/c1-2-17-8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h2-5,17H,1H2
InChIKeyPYJSJLRDIKWWKC-UHFFFAOYSA-N
MW255.16 g/mol
LogP4.28
Rot. Bonds2

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

N-ethenyl-3,5-bis(trifluoromethyl)aniline (PubChem CID 163887176) has the molecular formula C10H7F6N and a molecular weight of 255.16 g/mol. Its IUPAC name is N-ethenyl-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-ethenyl-3,5-bis(trifluoromethyl)aniline
PubChem CID163887176
Molecular FormulaC10H7F6N
Molecular Weight255.16 g/mol
Exact Mass255.05
IUPAC NameN-ethenyl-3,5-bis(trifluoromethyl)aniline
SMILESC=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6N/c1-2-17-8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h2-5,17H,1H2
InChIKeyPYJSJLRDIKWWKC-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
CID 131522513
N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline
CID 46221096
N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline
CID 98105012
N-[3-methyl-5-(trifluoromethyl)phenyl]formamide
CID 58761830
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
2-chloro-N-ethenyl-4-(trifluoromethyl)aniline
CID 172629453
N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561
N-bis[3,5-bis(trifluoromethyl)anilino]phosphoryl-3,5-bis(trifluoromethyl)aniline
CID 102421192
N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline
CID 18328539
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
3,4-bis[3,5-bis(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dithione
CID 171057092

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-ethenyl-3,5-bis(trifluoromethyl)aniline (CID 163887176) is N-ethenyl-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-ethenyl-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-ethenyl-3,5-bis(trifluoromethyl)aniline is C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-ethenyl-3,5-bis(trifluoromethyl)aniline?
The InChIKey is PYJSJLRDIKWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N/c1-2-17-8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h2-5,17H,1H2.
What are the key properties of N-ethenyl-3,5-bis(trifluoromethyl)aniline?
N-ethenyl-3,5-bis(trifluoromethyl)aniline has a molecular weight of 255.16 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 163887176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).