1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one

C9H13F3N2O — CID 139389395

IUPAC1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(1-2-8)3-5-14-6-4-13-7(14)15/h1-6H2,(H,13,15)
InChIKeyYDHXUGQQSQOZMX-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one

1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one (PubChem CID 139389395) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one
PubChem CID139389395
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(1-2-8)3-5-14-6-4-13-7(14)15/h1-6H2,(H,13,15)
InChIKeyYDHXUGQQSQOZMX-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one (CID 139389395) is 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one is O=C1NCCN1CCC1(C(F)(F)F)CC1.
What is the InChIKey of 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one?
The InChIKey is YDHXUGQQSQOZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)8(1-2-8)3-5-14-6-4-13-7(14)15/h1-6H2,(H,13,15).
What are the key properties of 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one?
1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one has a molecular weight of 222.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 139389395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).