(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one

C4H5F3N2O — CID 175885092

IUPAC(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one
SMILES[2H]N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)/t2-/m0/s1/i/hD
InChIKeyGBVKRAICTVOHIY-YHNMSJHRSA-N
MW155.10 g/mol
LogP0.23
Rot. Bonds

About (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one

(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 175885092) has the molecular formula C4H5F3N2O and a molecular weight of 155.10 g/mol. Its IUPAC name is (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID175885092
Molecular FormulaC4H5F3N2O
Molecular Weight155.10 g/mol
Exact Mass155.04
IUPAC Name(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one
SMILES[2H]N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)/t2-/m0/s1/i/hD
InChIKeyGBVKRAICTVOHIY-YHNMSJHRSA-N
XLogP0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.10
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-(trifluoromethyl)imidazolidin-2-one
CID 91927657
(4R)-4-(trifluoromethyl)imidazolidin-2-one
CID 99718576
4-(trifluoromethyl)-1,3-diazinan-2-one
CID 57031146
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
6-(trifluoromethyl)piperidin-2-one
CID 57367082
3-amino-6-(trifluoromethyl)piperidin-2-one
CID 43810944
5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione
CID 162362321
1-deuterio-2-(trifluoromethyl)pyrrolidine
CID 175824966
5-(trifluoromethyl)piperazin-2-one;hydrochloride
CID 146082989
2-acetyl-4-(trifluoromethyl)cyclohexan-1-one
CID 118255953
2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 84670481
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251

Frequently Asked Questions

What is the IUPAC name of (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one (CID 175885092) is (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one is [2H]N1C[C@@H](C(F)(F)F)NC1=O.
What is the InChIKey of (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is GBVKRAICTVOHIY-YHNMSJHRSA-N. The full InChI is InChI=1S/C4H5F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)/t2-/m0/s1/i/hD.
What are the key properties of (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one?
(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 155.10 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 175885092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).