(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine

C10H10F3N — CID 54775943

IUPAC(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-6H,7,14H2/b5-3+
InChIKeyHIXFHWUPPNEZNY-HWKANZROSA-N
MW201.19 g/mol
LogP2.68
Rot. Bonds2

About (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine

(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 54775943) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID54775943
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-6H,7,14H2/b5-3+
InChIKeyHIXFHWUPPNEZNY-HWKANZROSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19876981
3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463990
1-[(Z)-prop-1-enyl]-2-(trifluoromethyl)benzene
CID 143260561
[(E)-4-[2-(trifluoromethyl)phenyl]but-3-enyl] formate
CID 173173566
N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79347467
2-(3-aminoprop-1-enyl)aniline
CID 67152713
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79590331
(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine
CID 117276329
4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487411
(Z)-2-[2-(trifluoromethyl)phenyl]ethenesulfonyl chloride
CID 117265967
6-[(E)-3-aminoprop-1-enyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117369568
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 54775943) is (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine is NC/C=C/c1ccccc1C(F)(F)F.
What is the InChIKey of (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is HIXFHWUPPNEZNY-HWKANZROSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-6H,7,14H2/b5-3+.
What are the key properties of (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 201.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 54775943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).