N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline

C13H14F3N — CID 10999154

IUPACN,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline
SMILESC=CCN(CC=C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N/c1-3-8-17(9-4-2)12-7-5-6-11(10-12)13(14,15)16/h3-7,10H,1-2,8-9H2
InChIKeyRYBSYYHVIOKJKS-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.88
Rot. Bonds5

About N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline

N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline (PubChem CID 10999154) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline
PubChem CID10999154
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline
SMILESC=CCN(CC=C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N/c1-3-8-17(9-4-2)12-7-5-6-11(10-12)13(14,15)16/h3-7,10H,1-2,8-9H2
InChIKeyRYBSYYHVIOKJKS-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline (CID 10999154) is N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline is C=CCN(CC=C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline?
The InChIKey is RYBSYYHVIOKJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-3-8-17(9-4-2)12-7-5-6-11(10-12)13(14,15)16/h3-7,10H,1-2,8-9H2.
What are the key properties of N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline?
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline has a molecular weight of 241.26 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 10999154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).