1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one

C9H14F3N3O — CID 80578953

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one
SMILESCCCn1ccn(C(CN)C(F)(F)F)c1=O
InChIInChI=1S/C9H14F3N3O/c1-2-3-14-4-5-15(8(14)16)7(6-13)9(10,11)12/h4-5,7H,2-3,6,13H2,1H3
InChIKeyPVDZWKZSDWXFHQ-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.12
Rot. Bonds4

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one (PubChem CID 80578953) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one
PubChem CID80578953
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one
SMILESCCCn1ccn(C(CN)C(F)(F)F)c1=O
InChIInChI=1S/C9H14F3N3O/c1-2-3-14-4-5-15(8(14)16)7(6-13)9(10,11)12/h4-5,7H,2-3,6,13H2,1H3
InChIKeyPVDZWKZSDWXFHQ-UHFFFAOYSA-N
XLogP1.12
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-ethylimidazol-2-one
CID 80578792
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one
CID 80579013
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propan-2-ylimidazol-2-one
CID 80579557
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one
CID 80579731
1-Propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582357
1-Propan-2-yl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582363
1-Methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582401
1-Ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582421
1-Cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582779
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-ethylimidazol-2-one
CID 103366626
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
CID 103366627
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one
CID 103366629

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one (CID 80578953) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one is CCCn1ccn(C(CN)C(F)(F)F)c1=O.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one?
The InChIKey is PVDZWKZSDWXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-3-14-4-5-15(8(14)16)7(6-13)9(10,11)12/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one has a molecular weight of 237.22 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-(3-amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one is sourced from PubChem (CID 80578953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).