(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride

C12H14ClF3N2O — CID 119483027

IUPAC(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F3N2O.ClH/c13-12(14,15)9-3-1-2-8(6-9)11(18)17-5-4-10(16)7-17;/h1-3,6,10H,4-5,7,16H2;1H
InChIKeyZHQUUKWDAHVMJL-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.30
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 119483027) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID119483027
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F3N2O.ClH/c13-12(14,15)9-3-1-2-8(6-9)11(18)17-5-4-10(16)7-17;/h1-3,6,10H,4-5,7,16H2;1H
InChIKeyZHQUUKWDAHVMJL-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 126776079
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63264345
[(3S)-3-aminopyrrolidin-1-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119934620
1-(3-aminopyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119482994
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
(3-aminopyrrolidin-1-yl)-[3-bromo-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 176508133
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 119483027) is (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride is Cl.NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is ZHQUUKWDAHVMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O.ClH/c13-12(14,15)9-3-1-2-8(6-9)11(18)17-5-4-10(16)7-17;/h1-3,6,10H,4-5,7,16H2;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 294.70 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119483027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).