2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one

C10H14F5NO — CID 114038248

IUPAC2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H14F5NO/c1-2-3-7-4-5-16(6-7)8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3
InChIKeyPWTNNTHEPBMGQS-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.83
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one (PubChem CID 114038248) has the molecular formula C10H14F5NO and a molecular weight of 259.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one
PubChem CID114038248
Molecular FormulaC10H14F5NO
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC Name2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H14F5NO/c1-2-3-7-4-5-16(6-7)8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3
InChIKeyPWTNNTHEPBMGQS-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
2,2,3,3,3-pentafluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 114037853
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
2-methyl-3-oxo-3-(3-propylpyrrolidin-1-yl)propanoic acid
CID 114898961
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116657829
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
3-chloro-2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 63666746

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one (CID 114038248) is 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one is CCCC1CCN(C(=O)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one?
The InChIKey is PWTNNTHEPBMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO/c1-2-3-7-4-5-16(6-7)8(17)9(11,12)10(13,14)15/h7H,2-6H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one has a molecular weight of 259.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 114038248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).