1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine

C7H8F3N3 — CID 58431219

IUPAC1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)4-3-12-5(13-4)6(11)1-2-6/h3H,1-2,11H2,(H,12,13)
InChIKeyOPOASVVOYJJYDX-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.38
Rot. Bonds1

About 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine

1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 58431219) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID58431219
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)4-3-12-5(13-4)6(11)1-2-6/h3H,1-2,11H2,(H,12,13)
InChIKeyOPOASVVOYJJYDX-UHFFFAOYSA-N
XLogP1.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine (CID 58431219) is 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine is NC1(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is OPOASVVOYJJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)4-3-12-5(13-4)6(11)1-2-6/h3H,1-2,11H2,(H,12,13).
What are the key properties of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 191.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 58431219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).