N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide

C10H17F3N2O — CID 168939309

IUPACN-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCC1CC(CNC(=O)CC(F)(F)F)CN1C
InChIInChI=1S/C10H17F3N2O/c1-7-3-8(6-15(7)2)5-14-9(16)4-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyPEMAWLJVJJGJRJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds3

About N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide

N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 168939309) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID168939309
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCC1CC(CNC(=O)CC(F)(F)F)CN1C
InChIInChI=1S/C10H17F3N2O/c1-7-3-8(6-15(7)2)5-14-9(16)4-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyPEMAWLJVJJGJRJ-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide (CID 168939309) is N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide is CC1CC(CNC(=O)CC(F)(F)F)CN1C.
What is the InChIKey of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is PEMAWLJVJJGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7-3-8(6-15(7)2)5-14-9(16)4-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 238.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 168939309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).