cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium

C12H22F3N2O+ — CID 8875912

IUPACcyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
SMILESC[C@H](C(=O)NCC(F)(F)F)[N+](C)(C)C1CCCC1
InChIInChI=1S/C12H21F3N2O/c1-9(11(18)16-8-12(13,14)15)17(2,3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3/p+1/t9-/m1/s1
InChIKeyJZJPXZJOTQAXDO-SECBINFHSA-O
MW267.31 g/mol
LogP2.07
Rot. Bonds4

About cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium

cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium (PubChem CID 8875912) has the molecular formula C12H22F3N2O+ and a molecular weight of 267.31 g/mol. Its IUPAC name is cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium.

Molecular Properties

Compound Namecyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
PubChem CID8875912
Molecular FormulaC12H22F3N2O+
Molecular Weight267.31 g/mol
Exact Mass267.17
IUPAC Namecyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
SMILESC[C@H](C(=O)NCC(F)(F)F)[N+](C)(C)C1CCCC1
InChIInChI=1S/C12H21F3N2O/c1-9(11(18)16-8-12(13,14)15)17(2,3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3/p+1/t9-/m1/s1
InChIKeyJZJPXZJOTQAXDO-SECBINFHSA-O
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
The IUPAC name of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium (CID 8875912) is cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium.
What is the SMILES notation for cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
The canonical SMILES for cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium is C[C@H](C(=O)NCC(F)(F)F)[N+](C)(C)C1CCCC1.
What is the InChIKey of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
The InChIKey is JZJPXZJOTQAXDO-SECBINFHSA-O. The full InChI is InChI=1S/C12H21F3N2O/c1-9(11(18)16-8-12(13,14)15)17(2,3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3/p+1/t9-/m1/s1.
What are the key properties of cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium has a molecular weight of 267.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium is sourced from PubChem (CID 8875912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).