2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride

C10H18ClF3N2O — CID 119781580

IUPAC2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O.ClH/c11-10(12,13)4-2-6-15-9(16)7-8-3-1-5-14-8;/h8,14H,1-7H2,(H,15,16);1H
InChIKeyYYGFYUMQASUXAO-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.01
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride

2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride (PubChem CID 119781580) has the molecular formula C10H18ClF3N2O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
PubChem CID119781580
Molecular FormulaC10H18ClF3N2O
Molecular Weight274.71 g/mol
Exact Mass274.11
IUPAC Name2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O.ClH/c11-10(12,13)4-2-6-15-9(16)7-8-3-1-5-14-8;/h8,14H,1-7H2,(H,15,16);1H
InChIKeyYYGFYUMQASUXAO-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
CID 116560929
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119737430
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119898449
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291855
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119693624

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride (CID 119781580) is 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride is Cl.O=C(CC1CCCN1)NCCCC(F)(F)F.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride?
The InChIKey is YYGFYUMQASUXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O.ClH/c11-10(12,13)4-2-6-15-9(16)7-8-3-1-5-14-8;/h8,14H,1-7H2,(H,15,16);1H.
What are the key properties of 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride?
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride has a molecular weight of 274.71 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride is sourced from PubChem (CID 119781580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).