4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide

C10H17F3N2O — CID 56709504

IUPAC4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-15-5-3-8(7-15)6-14-9(16)2-4-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyCVZFQRBPMQYVJS-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds4

About 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide

4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 56709504) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
PubChem CID56709504
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-15-5-3-8(7-15)6-14-9(16)2-4-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyCVZFQRBPMQYVJS-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3245780
1-Ethyl-4-[(methylamino)methyl]pyrrolidin-2-one
CID 45791026
4-((Dimethylamino)methyl)pyrrolidin-2-one
CID 59591617
2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86102547
1-{3-[(Methylamino)methyl]pyrrolidin-1-yl}ethan-1-one hydrochloride
CID 71757199
N-(2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45812054
4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81487620
(2S)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 94607126
N-methyl-2-[(3R)-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]acetamide
CID 129610500
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide
CID 164641633
N-[(4-fluoropyrrolidin-3-yl)methyl]acetamide
CID 13933689
N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]acetamide
CID 13933690

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide (CID 56709504) is 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide is CN1CCC(CNC(=O)CCC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is CVZFQRBPMQYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-15-5-3-8(7-15)6-14-9(16)2-4-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide?
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 238.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 56709504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).