3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide

C8H13F3N2O — CID 119449946

IUPAC3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCNC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5(8(9,10)11)7(14)13-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyDNXJWNDAVIXWCV-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.66
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide

3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119449946) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119449946
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)NC1CCNC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5(8(9,10)11)7(14)13-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyDNXJWNDAVIXWCV-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide
CID 119424701
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide (CID 119449946) is 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide is CC(C(=O)NC1CCNC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is DNXJWNDAVIXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-5(8(9,10)11)7(14)13-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide?
3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 210.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119449946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).