1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine

C8H10F3N3 — CID 66140665

IUPAC1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1cncn1C1CC1)C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7(12)6-3-13-4-14(6)5-1-2-5/h3-5,7H,1-2,12H2
InChIKeyUSCMUDNBXFFSNU-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.78
Rot. Bonds2

About 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine

1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine (PubChem CID 66140665) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine
PubChem CID66140665
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1cncn1C1CC1)C(F)(F)F
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7(12)6-3-13-4-14(6)5-1-2-5/h3-5,7H,1-2,12H2
InChIKeyUSCMUDNBXFFSNU-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine (CID 66140665) is 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine is NC(c1cncn1C1CC1)C(F)(F)F.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine?
The InChIKey is USCMUDNBXFFSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)7(12)6-3-13-4-14(6)5-1-2-5/h3-5,7H,1-2,12H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine?
1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine has a molecular weight of 205.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66140665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).