4-(3,3,3-trifluoropropyl)imidazolidin-2-one

C6H9F3N2O — CID 86720187

IUPAC4-(3,3,3-trifluoropropyl)imidazolidin-2-one
SMILESO=C1NCC(CCC(F)(F)F)N1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)2-1-4-3-10-5(12)11-4/h4H,1-3H2,(H2,10,11,12)
InChIKeyWGOOIOXFZMSLDY-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.01
Rot. Bonds2

About 4-(3,3,3-trifluoropropyl)imidazolidin-2-one

4-(3,3,3-trifluoropropyl)imidazolidin-2-one (PubChem CID 86720187) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)imidazolidin-2-one
PubChem CID86720187
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name4-(3,3,3-trifluoropropyl)imidazolidin-2-one
SMILESO=C1NCC(CCC(F)(F)F)N1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)2-1-4-3-10-5(12)11-4/h4H,1-3H2,(H2,10,11,12)
InChIKeyWGOOIOXFZMSLDY-UHFFFAOYSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(Pyrrolidin-2-yl)methyl]urea
CID 62541812
4,5-Bis(trifluoromethyl)-imidazolidin-2-one
CID 129872631
4-Ethyl-5-methyl-2-imidazolidinone
CID 22042260
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
1-(4,4,4-Trifluorobutyl)imidazolidin-2-one
CID 54153630
4-(Difluoromethyl)-1-methylimidazolidin-2-one
CID 67253254
5-(2,2-Difluoroethyl)-1-methylimidazolidin-2-one
CID 67253649
4-(2,2-Difluoroethyl)imidazolidin-2-one
CID 67254309
4-(Fluoromethyl)-1-methylimidazolidin-2-one
CID 67254784
4-(2-Fluoroethyl)-1-methylimidazolidin-2-one
CID 67255418
4-(Difluoromethyl)imidazolidin-2-one
CID 67255484
4-(Fluoromethyl)imidazolidin-2-one
CID 67255577

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)imidazolidin-2-one?
The IUPAC name of 4-(3,3,3-trifluoropropyl)imidazolidin-2-one (CID 86720187) is 4-(3,3,3-trifluoropropyl)imidazolidin-2-one.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)imidazolidin-2-one?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)imidazolidin-2-one is O=C1NCC(CCC(F)(F)F)N1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)imidazolidin-2-one?
The InChIKey is WGOOIOXFZMSLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)2-1-4-3-10-5(12)11-4/h4H,1-3H2,(H2,10,11,12).
What are the key properties of 4-(3,3,3-trifluoropropyl)imidazolidin-2-one?
4-(3,3,3-trifluoropropyl)imidazolidin-2-one has a molecular weight of 182.14 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)imidazolidin-2-one is sourced from PubChem (CID 86720187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).