3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine

C9H9F3N2 — CID 169463892

IUPAC3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine
SMILESNCC=Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)8-6-7(2-1-4-13)3-5-14-8/h1-3,5-6H,4,13H2
InChIKeyCXCIYORSWOYUFY-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.07
Rot. Bonds2

About 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine

3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine (PubChem CID 169463892) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine
PubChem CID169463892
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine
SMILESNCC=Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)8-6-7(2-1-4-13)3-5-14-8/h1-3,5-6H,4,13H2
InChIKeyCXCIYORSWOYUFY-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(trifluoromethyl)-4-pyridinyl]but-3-enoic acid
CID 170483926
tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]carbamate
CID 169467883
3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463998
2-(trifluoromethyl)pyridin-4-amine
CID 10261388
2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
CID 155858331
4-fluoro-2-(trifluoromethyl)pyridine
CID 44891496
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
CID 141413257
(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 115350765
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 169473945

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine (CID 169463892) is 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine is NCC=Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine?
The InChIKey is CXCIYORSWOYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)8-6-7(2-1-4-13)3-5-14-8/h1-3,5-6H,4,13H2.
What are the key properties of 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine?
3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine has a molecular weight of 202.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-amine is sourced from PubChem (CID 169463892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).