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

C10H17F3N2O — CID 95212961

IUPAC4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
SMILESCN1CC[C@H](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)/t8-/m1/s1
InChIKeyCVZFQRBPMQYVJS-MRVPVSSYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds4

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

4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide (PubChem CID 95212961) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
PubChem CID95212961
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
SMILESCN1CC[C@H](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)/t8-/m1/s1
InChIKeyCVZFQRBPMQYVJS-MRVPVSSYSA-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

3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 115173838
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 54927931
3,3-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 62934562
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 115157048
3-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 55155029
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide (CID 95212961) is 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide is CN1CC[C@H](CNC(=O)CCC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide?
The InChIKey is CVZFQRBPMQYVJS-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide?
4,4,4-trifluoro-N-[[(3R)-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-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95212961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).