3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one

C7H7F3N2O — CID 106211084

IUPAC3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(1-2-6)12-4-3-11-5(12)13/h3-4H,1-2H2,(H,11,13)
InChIKeyYHXDCRCLJOLAAH-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.23
Rot. Bonds1

About 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one

3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one (PubChem CID 106211084) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one
PubChem CID106211084
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1(C(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(1-2-6)12-4-3-11-5(12)13/h3-4H,1-2H2,(H,11,13)
InChIKeyYHXDCRCLJOLAAH-UHFFFAOYSA-N
XLogP1.23
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-difluoroethyl)-1H-imidazol-2-one
CID 103125858
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013724
3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
CID 141356430
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-(4,4,4-trifluorobutan-2-yl)-1H-imidazol-2-one
CID 105928736
3-(2,2,3,3-tetrafluoropropyl)-1H-imidazol-2-one
CID 106290863
3-(3,3-difluorobutan-2-yl)-1H-imidazol-2-one
CID 130848376
3-(1-methylcyclopropyl)-1H-imidazol-2-one
CID 103126011

Frequently Asked Questions

What is the IUPAC name of 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one (CID 106211084) is 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one is O=c1[nH]ccn1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one?
The InChIKey is YHXDCRCLJOLAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(1-2-6)12-4-3-11-5(12)13/h3-4H,1-2H2,(H,11,13).
What are the key properties of 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one?
3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one has a molecular weight of 192.14 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one is sourced from PubChem (CID 106211084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).