methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline

C11H14F3N — CID 153395488

IUPACmethane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline
SMILESC.C=C(C)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H10F3N.CH4/c1-6(2)8-4-3-7(14)5-9(8)10(11,12)13;/h3-5H,1,14H2,2H3;1H4
InChIKeyVIRZDJMIGFBPFX-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.96
Rot. Bonds1

About methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline

methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline (PubChem CID 153395488) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Namemethane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline
PubChem CID153395488
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Namemethane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline
SMILESC.C=C(C)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H10F3N.CH4/c1-6(2)8-4-3-7(14)5-9(8)10(11,12)13;/h3-5H,1,14H2,2H3;1H4
InChIKeyVIRZDJMIGFBPFX-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline?
The IUPAC name of methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline (CID 153395488) is methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline is C.C=C(C)c1ccc(N)cc1C(F)(F)F.
What is the InChIKey of methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline?
The InChIKey is VIRZDJMIGFBPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N.CH4/c1-6(2)8-4-3-7(14)5-9(8)10(11,12)13;/h3-5H,1,14H2,2H3;1H4.
What are the key properties of methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline?
methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline has a molecular weight of 217.23 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 153395488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).