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

C10H10F3N — CID 3017247

IUPACN-prop-2-enyl-3-(trifluoromethyl)aniline
SMILESC=CCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2-5,7,14H,1,6H2
InChIKeyDGJLLKBHFCFOOZ-UHFFFAOYSA-N
MW201.19 g/mol
LogP3.30
Rot. Bonds3

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

N-prop-2-enyl-3-(trifluoromethyl)aniline (PubChem CID 3017247) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-prop-2-enyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-prop-2-enyl-3-(trifluoromethyl)aniline
PubChem CID3017247
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-prop-2-enyl-3-(trifluoromethyl)aniline
SMILESC=CCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2-5,7,14H,1,6H2
InChIKeyDGJLLKBHFCFOOZ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
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-prop-2-enyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-prop-2-enyl-3-(trifluoromethyl)aniline (CID 3017247) is N-prop-2-enyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-prop-2-enyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-prop-2-enyl-3-(trifluoromethyl)aniline is C=CCNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-prop-2-enyl-3-(trifluoromethyl)aniline?
The InChIKey is DGJLLKBHFCFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2-5,7,14H,1,6H2.
What are the key properties of N-prop-2-enyl-3-(trifluoromethyl)aniline?
N-prop-2-enyl-3-(trifluoromethyl)aniline has a molecular weight of 201.19 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 3017247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).