2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide

C9H14F4N2O — CID 103733780

IUPAC2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
SMILESCN1CCCC1CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O/c1-15-4-2-3-6(15)5-14-8(16)9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyPVDGVHDRDCEGDC-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.10
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 103733780) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
PubChem CID103733780
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Name2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
SMILESCN1CCCC1CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O/c1-15-4-2-3-6(15)5-14-8(16)9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyPVDGVHDRDCEGDC-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62847121
2-(ethylamino)-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62836518
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
2-methyl-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114137834
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 143059695

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide (CID 103733780) is 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide is CN1CCCC1CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is PVDGVHDRDCEGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c1-15-4-2-3-6(15)5-14-8(16)9(12,13)7(10)11/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 242.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 103733780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).