(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine

C11H8F7N — CID 173495553

IUPAC(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine
SMILESN/C(F)=C\Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F7N/c12-9(19)2-1-6-3-7(10(13,14)15)5-8(4-6)11(16,17)18/h2-5H,1,19H2/b9-2-
InChIKeyDLHYZSSBSAEPRL-MBXJOHMKSA-N
MW287.18 g/mol
LogP4.04
Rot. Bonds2

About (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine

(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine (PubChem CID 173495553) has the molecular formula C11H8F7N and a molecular weight of 287.18 g/mol. Its IUPAC name is (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine
PubChem CID173495553
Molecular FormulaC11H8F7N
Molecular Weight287.18 g/mol
Exact Mass287.05
IUPAC Name(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine
SMILESN/C(F)=C\Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F7N/c12-9(19)2-1-6-3-7(10(13,14)15)5-8(4-6)11(16,17)18/h2-5H,1,19H2/b9-2-
InChIKeyDLHYZSSBSAEPRL-MBXJOHMKSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
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CID 90690847
ethyl (Z)-2-fluoro-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-enoate
CID 66983020
(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
CID 66983008
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CID 142869600
(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
CID 163513137
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
CID 89166343
2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 87789027
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 118342936
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 172768218

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine?
The IUPAC name of (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine (CID 173495553) is (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine.
What is the SMILES notation for (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine?
The canonical SMILES for (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine is N/C(F)=C\Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine?
The InChIKey is DLHYZSSBSAEPRL-MBXJOHMKSA-N. The full InChI is InChI=1S/C11H8F7N/c12-9(19)2-1-6-3-7(10(13,14)15)5-8(4-6)11(16,17)18/h2-5H,1,19H2/b9-2-.
What are the key properties of (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine?
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine has a molecular weight of 287.18 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-fluoroprop-1-en-1-amine is sourced from PubChem (CID 173495553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).