(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine

C14H17F4N — CID 107290638

IUPAC(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine
SMILESCCCNCC/C=C/c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c1-2-8-19-9-4-3-5-11-6-7-13(15)12(10-11)14(16,17)18/h3,5-7,10,19H,2,4,8-9H2,1H3/b5-3+
InChIKeyHGPPJCAOXUBCOF-HWKANZROSA-N
MW275.29 g/mol
LogP4.25
Rot. Bonds6

About (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine

(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine (PubChem CID 107290638) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine
PubChem CID107290638
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine
SMILESCCCNCC/C=C/c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c1-2-8-19-9-4-3-5-11-6-7-13(15)12(10-11)14(16,17)18/h3,5-7,10,19H,2,4,8-9H2,1H3/b5-3+
InChIKeyHGPPJCAOXUBCOF-HWKANZROSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 170497926
tert-butyl N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170490954
S-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480609
(E)-4-(3-chloro-4-methylphenyl)-N-propylbut-3-en-1-amine
CID 107561083
1-fluoro-4-prop-1-enyl-2-(trifluoromethyl)benzene
CID 173058439
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800175
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484034
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031
4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487396
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158
1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene
CID 23105944

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine?
The IUPAC name of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine (CID 107290638) is (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine?
The canonical SMILES for (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine is CCCNCC/C=C/c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine?
The InChIKey is HGPPJCAOXUBCOF-HWKANZROSA-N. The full InChI is InChI=1S/C14H17F4N/c1-2-8-19-9-4-3-5-11-6-7-13(15)12(10-11)14(16,17)18/h3,5-7,10,19H,2,4,8-9H2,1H3/b5-3+.
What are the key properties of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine?
(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine has a molecular weight of 275.29 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine is sourced from PubChem (CID 107290638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).