(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride

C9H14ClF3N2O2 — CID 119800753

IUPAC(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C9H13F3N2O2.ClH/c10-9(11,12)8(16)3-4-14(5-8)6(15)7(13)1-2-7;/h16H,1-5,13H2;1H
InChIKeyRYRZDDSBJGXNPD-UHFFFAOYSA-N
MW274.67 g/mol
LogP0.43
Rot. Bonds1

About (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride

(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119800753) has the molecular formula C9H14ClF3N2O2 and a molecular weight of 274.67 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119800753
Molecular FormulaC9H14ClF3N2O2
Molecular Weight274.67 g/mol
Exact Mass274.07
IUPAC Name(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(O)(C(F)(F)F)C2)CC1
InChIInChI=1S/C9H13F3N2O2.ClH/c10-9(11,12)8(16)3-4-14(5-8)6(15)7(13)1-2-7;/h16H,1-5,13H2;1H
InChIKeyRYRZDDSBJGXNPD-UHFFFAOYSA-N
XLogP0.43
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333364
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
CID 130524196
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119800778
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119800798
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 119326792
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
2-tert-butylsulfonyl-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 99698290
(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 134519625
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 113241011
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119800753) is (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride is Cl.NC1(C(=O)N2CCC(O)(C(F)(F)F)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is RYRZDDSBJGXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2.ClH/c10-9(11,12)8(16)3-4-14(5-8)6(15)7(13)1-2-7;/h16H,1-5,13H2;1H.
What are the key properties of (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride?
(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 274.67 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119800753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).