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

C10H10F3N — CID 19778773

IUPACN-prop-2-enyl-N-(trifluoromethyl)aniline
SMILESC=CCN(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3N/c1-2-8-14(10(11,12)13)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyXRZXSLIVZBTAFJ-UHFFFAOYSA-N
MW201.19 g/mol
LogP3.20
Rot. Bonds3

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

N-prop-2-enyl-N-(trifluoromethyl)aniline (PubChem CID 19778773) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-prop-2-enyl-N-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-prop-2-enyl-N-(trifluoromethyl)aniline
PubChem CID19778773
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-prop-2-enyl-N-(trifluoromethyl)aniline
SMILESC=CCN(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3N/c1-2-8-14(10(11,12)13)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyXRZXSLIVZBTAFJ-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;N-phenyl-N-prop-2-enylaniline
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N-chloro-N-(trifluoromethyl)aniline
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N-prop-2-enoxy-N-prop-2-enylaniline
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N-tert-butyl-N-prop-2-enylpyridin-3-amine
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N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
N-prop-2-enyl-N-propylaniline;hydrochloride
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[prop-2-enyl(sulfino)amino]benzene
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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(trifluoromethyl)aniline?
The IUPAC name of N-prop-2-enyl-N-(trifluoromethyl)aniline (CID 19778773) is N-prop-2-enyl-N-(trifluoromethyl)aniline.
What is the SMILES notation for N-prop-2-enyl-N-(trifluoromethyl)aniline?
The canonical SMILES for N-prop-2-enyl-N-(trifluoromethyl)aniline is C=CCN(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-prop-2-enyl-N-(trifluoromethyl)aniline?
The InChIKey is XRZXSLIVZBTAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-2-8-14(10(11,12)13)9-6-4-3-5-7-9/h2-7H,1,8H2.
What are the key properties of N-prop-2-enyl-N-(trifluoromethyl)aniline?
N-prop-2-enyl-N-(trifluoromethyl)aniline has a molecular weight of 201.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(trifluoromethyl)aniline is sourced from PubChem (CID 19778773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).