4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide

C8H13F3N2O — CID 70984536

IUPAC4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide
SMILESNC(=O)C(CC(F)(F)F)C1CCNC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)3-6(7(12)14)5-1-2-13-4-5/h5-6,13H,1-4H2,(H2,12,14)
InChIKeySYXHJHMBOMKMCE-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.65
Rot. Bonds3

About 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide

4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide (PubChem CID 70984536) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide
PubChem CID70984536
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide
SMILESNC(=O)C(CC(F)(F)F)C1CCNC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)3-6(7(12)14)5-1-2-13-4-5/h5-6,13H,1-4H2,(H2,12,14)
InChIKeySYXHJHMBOMKMCE-UHFFFAOYSA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-3-ylpentanamide
CID 140542281
3,3,3-trifluoro-1-piperidin-4-ylpropan-1-ol
CID 83686081
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
ethyl (2S)-2-fluoro-2-[(3S)-pyrrolidin-3-yl]acetate
CID 125086128
3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
CID 116536150
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714
1-pyrrolidin-3-yl-1-(1,1,2-trifluoroethyl)urea
CID 71015507
4-methyl-3-pyrrolidin-3-ylpentanoic acid
CID 82406112
2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide
CID 169194163
3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid
CID 117238153

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide (CID 70984536) is 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide is NC(=O)C(CC(F)(F)F)C1CCNC1.
What is the InChIKey of 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide?
The InChIKey is SYXHJHMBOMKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)3-6(7(12)14)5-1-2-13-4-5/h5-6,13H,1-4H2,(H2,12,14).
What are the key properties of 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide?
4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide has a molecular weight of 210.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 70984536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).