1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride

C8H13ClF4N2O — CID 119484770

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
SMILESCl.NCC1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C8H12F4N2O.ClH/c9-6(10)8(11,12)7(15)14-2-1-5(3-13)4-14;/h5-6H,1-4,13H2;1H
InChIKeyQUVIQZZOATZPHY-UHFFFAOYSA-N
MW264.65 g/mol
LogP1.12
Rot. Bonds3

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride

1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride (PubChem CID 119484770) has the molecular formula C8H13ClF4N2O and a molecular weight of 264.65 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
PubChem CID119484770
Molecular FormulaC8H13ClF4N2O
Molecular Weight264.65 g/mol
Exact Mass264.07
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
SMILESCl.NCC1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C8H12F4N2O.ClH/c9-6(10)8(11,12)7(15)14-2-1-5(3-13)4-14;/h5-6H,1-4,13H2;1H
InChIKeyQUVIQZZOATZPHY-UHFFFAOYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 51.12
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

1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 54595642
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 103803979
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 103747253
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-2-(4-methylanilino)propan-1-one;dihydrochloride
CID 154884834
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103750070
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride (CID 119484770) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride is Cl.NCC1CCN(C(=O)C(F)(F)C(F)F)C1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride?
The InChIKey is QUVIQZZOATZPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O.ClH/c9-6(10)8(11,12)7(15)14-2-1-5(3-13)4-14;/h5-6H,1-4,13H2;1H.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride?
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride has a molecular weight of 264.65 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride is sourced from PubChem (CID 119484770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).