(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine

C10H9F4N — CID 115350765

IUPAC(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N/c11-9-5-7(2-1-3-15)4-8(6-9)10(12,13)14/h1-2,4-6H,3,15H2/b2-1+
InChIKeyZRUQGCXMEUAWHK-OWOJBTEDSA-N
MW219.18 g/mol
LogP2.82
Rot. Bonds2

About (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine

(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 115350765) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID115350765
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N/c11-9-5-7(2-1-3-15)4-8(6-9)10(12,13)14/h1-2,4-6H,3,15H2/b2-1+
InChIKeyZRUQGCXMEUAWHK-OWOJBTEDSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-ene-1-thiol
CID 169455659
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
CID 163513137
S-[4-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480620
3-(4-aminobut-1-enyl)-5-(trifluoromethyl)aniline
CID 170487535
benzyl N-[3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472117
(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
CID 118168632
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
CID 117279410
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoroaniline
CID 115111057

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 115350765) is (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine is NC/C=C/c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is ZRUQGCXMEUAWHK-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H9F4N/c11-9-5-7(2-1-3-15)4-8(6-9)10(12,13)14/h1-2,4-6H,3,15H2/b2-1+.
What are the key properties of (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 219.18 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 115350765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).