(5R)-5-(trifluoromethyl)pyrrolidin-2-one

C5H6F3NO — CID 66570764

IUPAC(5R)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m1/s1
InChIKeyBKONNPBZAYHNOV-GSVOUGTGSA-N
MW153.10 g/mol
LogP0.83
Rot. Bonds

About (5R)-5-(trifluoromethyl)pyrrolidin-2-one

(5R)-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 66570764) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is (5R)-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID66570764
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name(5R)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m1/s1
InChIKeyBKONNPBZAYHNOV-GSVOUGTGSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(trifluoromethyl)piperidin-2-one
CID 57367082
(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
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4-(trifluoromethyl)-1,3-diazinan-2-one
CID 57031146
5-(trifluoromethoxy)pyrrolidin-2-one
CID 123685049
3-amino-6-(trifluoromethyl)piperidin-2-one
CID 43810944
5-(trifluoromethyl)azepan-2-one
CID 12579051
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
(4R)-4-(trifluoromethyl)imidazolidin-2-one
CID 99718576
(4S)-4-(trifluoromethyl)imidazolidin-2-one
CID 91927657
(4S)-1-deuterio-4-(trifluoromethyl)imidazolidin-2-one
CID 175885092
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251
5-(2-phenylselanylpropan-2-yl)pyrrolidin-2-one
CID 11482936

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(trifluoromethyl)pyrrolidin-2-one (CID 66570764) is (5R)-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(trifluoromethyl)pyrrolidin-2-one is O=C1CC[C@H](C(F)(F)F)N1.
What is the InChIKey of (5R)-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is BKONNPBZAYHNOV-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m1/s1.
What are the key properties of (5R)-5-(trifluoromethyl)pyrrolidin-2-one?
(5R)-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 153.10 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 66570764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).