3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide

C8H13F3N2O — CID 80564380

IUPAC3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCC1CCNC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)3-7(14)13-5-6-1-2-12-4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyOWVYPSPZMIXRLV-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.66
Rot. Bonds3

About 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide

3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide (PubChem CID 80564380) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide
PubChem CID80564380
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCC1CCNC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)3-7(14)13-5-6-1-2-12-4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyOWVYPSPZMIXRLV-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113265453
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
3-(pyrrolidin-3-ylmethylcarbamoylamino)propanoic acid
CID 117234624
2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 99854012
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide (CID 80564380) is 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide is O=C(CC(F)(F)F)NCC1CCNC1.
What is the InChIKey of 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide?
The InChIKey is OWVYPSPZMIXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)3-7(14)13-5-6-1-2-12-4-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide?
3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide has a molecular weight of 210.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide is sourced from PubChem (CID 80564380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).