2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine

C14H19F4N3O — CID 141174266

IUPAC2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine
SMILESC=C(F)C(c1cnc(C(F)(F)F)n1C1CCOCC1)N(C)C
InChIInChI=1S/C14H19F4N3O/c1-9(15)12(20(2)3)11-8-19-13(14(16,17)18)21(11)10-4-6-22-7-5-10/h8,10,12H,1,4-7H2,2-3H3
InChIKeyOUMXFFQLIJPHAT-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.34
Rot. Bonds4

About 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine

2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine (PubChem CID 141174266) has the molecular formula C14H19F4N3O and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine
PubChem CID141174266
Molecular FormulaC14H19F4N3O
Molecular Weight321.32 g/mol
Exact Mass321.15
IUPAC Name2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine
SMILESC=C(F)C(c1cnc(C(F)(F)F)n1C1CCOCC1)N(C)C
InChIInChI=1S/C14H19F4N3O/c1-9(15)12(20(2)3)11-8-19-13(14(16,17)18)21(11)10-4-6-22-7-5-10/h8,10,12H,1,4-7H2,2-3H3
InChIKeyOUMXFFQLIJPHAT-UHFFFAOYSA-N
XLogP3.34
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine?
The IUPAC name of 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine (CID 141174266) is 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine?
The canonical SMILES for 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine is C=C(F)C(c1cnc(C(F)(F)F)n1C1CCOCC1)N(C)C.
What is the InChIKey of 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine?
The InChIKey is OUMXFFQLIJPHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N3O/c1-9(15)12(20(2)3)11-8-19-13(14(16,17)18)21(11)10-4-6-22-7-5-10/h8,10,12H,1,4-7H2,2-3H3.
What are the key properties of 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine?
2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine has a molecular weight of 321.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-1-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-amine is sourced from PubChem (CID 141174266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).