1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one

C10H14F3N3O — CID 103366629

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one
SMILESNCC(Cn1ccn(C2CC2)c1=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7(5-14)6-15-3-4-16(9(15)17)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2
InChIKeyXCFDCNUKTFJBKE-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one (PubChem CID 103366629) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one
PubChem CID103366629
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one
SMILESNCC(Cn1ccn(C2CC2)c1=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7(5-14)6-15-3-4-16(9(15)17)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2
InChIKeyXCFDCNUKTFJBKE-UHFFFAOYSA-N
XLogP1.12
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one (CID 103366629) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one is NCC(Cn1ccn(C2CC2)c1=O)C(F)(F)F.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one?
The InChIKey is XCFDCNUKTFJBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)7(5-14)6-15-3-4-16(9(15)17)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 103366629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).