3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one

C7H9F3N2O — CID 103125861

IUPAC3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-1-4-12-5-3-11-6(12)13/h3,5H,1-2,4H2,(H,11,13)
InChIKeyCWSKWRKNDQPESQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.52
Rot. Bonds3

About 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one

3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one (PubChem CID 103125861) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
PubChem CID103125861
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-1-4-12-5-3-11-6(12)13/h3,5H,1-2,4H2,(H,11,13)
InChIKeyCWSKWRKNDQPESQ-UHFFFAOYSA-N
XLogP1.52
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-fluorobutyl)-1H-imidazol-2-one
CID 69179192
3-(2,2-difluoroethyl)-1H-imidazol-2-one
CID 103125858
3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013724
3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
CID 141356430
3-(difluoromethyl)-1H-imidazol-2-one
CID 167615880
3-[(Z)-2-aminoethenyl]-1-(2,2-difluorocyclopropyl)-1-methylurea
CID 169929179
3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
CID 103124913
3-(3,3,3-trifluoropropyl)-1H-imidazol-2-one
CID 103125619
3-(5,5,5-trifluoropentyl)-1H-imidazol-2-one
CID 103125863
3-(4,4,4-trifluorobutan-2-yl)-1H-imidazol-2-one
CID 105928736
3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one
CID 106211084
3-(2,2,3,3-tetrafluoropropyl)-1H-imidazol-2-one
CID 106290863

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one (CID 103125861) is 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one is O=c1[nH]ccn1CCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one?
The InChIKey is CWSKWRKNDQPESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)2-1-4-12-5-3-11-6(12)13/h3,5H,1-2,4H2,(H,11,13).
What are the key properties of 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one?
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one has a molecular weight of 194.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).