2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine

C8H12F3N3 — CID 57466824

IUPAC2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)2-4-14-5-7(1-3-12)13-6-14/h5-6H,1-4,12H2
InChIKeyWJDAPCKRYXKXBF-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.34
Rot. Bonds4

About 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine

2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine (PubChem CID 57466824) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine
PubChem CID57466824
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)2-4-14-5-7(1-3-12)13-6-14/h5-6H,1-4,12H2
InChIKeyWJDAPCKRYXKXBF-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine (CID 57466824) is 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine is NCCc1cn(CCC(F)(F)F)cn1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine?
The InChIKey is WJDAPCKRYXKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c9-8(10,11)2-4-14-5-7(1-3-12)13-6-14/h5-6H,1-4,12H2.
What are the key properties of 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine?
2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine has a molecular weight of 207.20 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 57466824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).