4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one

C9H12F3NO2 — CID 106216992

IUPAC4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1C1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(1-2-8)13-4-6(5-14)3-7(13)15/h6,14H,1-5H2
InChIKeySLPZZMFFLFHRSP-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.92
Rot. Bonds2

About 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one (PubChem CID 106216992) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one
PubChem CID106216992
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1C1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(1-2-8)13-4-6(5-14)3-7(13)15/h6,14H,1-5H2
InChIKeySLPZZMFFLFHRSP-UHFFFAOYSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-Dimethylethyl)-4-(hydroxymethyl)-2-pyrrolidinone
CID 20372067
1-Cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 24275513
4-(Hydroxymethyl)-1-(trifluoromethyl)pyrrolidin-2-one
CID 139667701
3,3,3-Trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62348317
4-(Hydroxymethyl)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-one
CID 64207967
4-(Hydroxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 64208577
4-(Hydroxymethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
CID 64209631
4,4,4-Trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 65711171
3,3,3-Trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310163
2,2,3,3-Tetrafluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 103860895
1-[2-(2,2-Difluoroethoxy)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 105919224
4-(Hydroxymethyl)-1-(4,4,4-trifluorobutan-2-yl)pyrrolidin-2-one
CID 105932641

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one (CID 106216992) is 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one is O=C1CC(CO)CN1C1(C(F)(F)F)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one?
The InChIKey is SLPZZMFFLFHRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)8(1-2-8)13-4-6(5-14)3-7(13)15/h6,14H,1-5H2.
What are the key properties of 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one has a molecular weight of 223.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-2-one is sourced from PubChem (CID 106216992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).