N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide

C8H14F3N3O2 — CID 79681419

IUPACN'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)1-2-14-3-4-16-6(5-14)7(12)13-15/h6,15H,1-5H2,(H2,12,13)
InChIKeyDXTARQILGDSPPN-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.39
Rot. Bonds3

About N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide

N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide (PubChem CID 79681419) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide
PubChem CID79681419
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)1-2-14-3-4-16-6(5-14)7(12)13-15/h6,15H,1-5H2,(H2,12,13)
InChIKeyDXTARQILGDSPPN-UHFFFAOYSA-N
XLogP0.39
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-(morpholin-4-yl)propanimidamide
CID 658263
N'-hydroxy-3-morpholin-4-ylpropanimidamide
CID 5787165
N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 75356172
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
4-(2,2,2-Trifluoroethyl)morpholine-2-carboximidamide
CID 79675681
4-(3,3,3-Trifluoropropyl)morpholine-2-carboximidamide
CID 79676063
4-(2,2-Difluoroethyl)morpholine-2-carboximidamide
CID 79676527
N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide
CID 79680420

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide (CID 79681419) is N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide is NC(=NO)C1CN(CCC(F)(F)F)CCO1.
What is the InChIKey of N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
The InChIKey is DXTARQILGDSPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c9-8(10,11)1-2-14-3-4-16-6(5-14)7(12)13-15/h6,15H,1-5H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide has a molecular weight of 241.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79681419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).