3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline

C10H9F4N — CID 165144308

IUPAC3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline
SMILESC=C(C)c1ccc(F)c(C(F)(F)F)c1N
InChIInChI=1S/C10H9F4N/c1-5(2)6-3-4-7(11)8(9(6)15)10(12,13)14/h3-4H,1,15H2,2H3
InChIKeyAERPAIJUJVURTF-UHFFFAOYSA-N
MW219.18 g/mol
LogP3.46
Rot. Bonds1

About 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline

3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline (PubChem CID 165144308) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline
PubChem CID165144308
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline
SMILESC=C(C)c1ccc(F)c(C(F)(F)F)c1N
InChIInChI=1S/C10H9F4N/c1-5(2)6-3-4-7(11)8(9(6)15)10(12,13)14/h3-4H,1,15H2,2H3
InChIKeyAERPAIJUJVURTF-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 53.46
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 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline?
The IUPAC name of 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline (CID 165144308) is 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline?
The canonical SMILES for 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline is C=C(C)c1ccc(F)c(C(F)(F)F)c1N.
What is the InChIKey of 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline?
The InChIKey is AERPAIJUJVURTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N/c1-5(2)6-3-4-7(11)8(9(6)15)10(12,13)14/h3-4H,1,15H2,2H3.
What are the key properties of 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline?
3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline has a molecular weight of 219.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 165144308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).