4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide

C13H17F2N3O2 — CID 116789560

IUPAC4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESN/C(=N/O)C1CN(CC(F)(F)c2ccccc2)CCO1
InChIInChI=1S/C13H17F2N3O2/c14-13(15,10-4-2-1-3-5-10)9-18-6-7-20-11(8-18)12(16)17-19/h1-5,11,19H,6-9H2,(H2,16,17)
InChIKeyKDPVBNXRCCHCDE-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.23
Rot. Bonds4

About 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide

4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 116789560) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID116789560
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide
SMILESN/C(=N/O)C1CN(CC(F)(F)c2ccccc2)CCO1
InChIInChI=1S/C13H17F2N3O2/c14-13(15,10-4-2-1-3-5-10)9-18-6-7-20-11(8-18)12(16)17-19/h1-5,11,19H,6-9H2,(H2,16,17)
InChIKeyKDPVBNXRCCHCDE-UHFFFAOYSA-N
XLogP1.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.23
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

(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239
N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
CID 79670534
4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 103046739
4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
CID 79670529
4-[(4-bromothiophen-2-yl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680504
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
CID 79680423
4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
CID 82926320
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide
CID 79681250

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide (CID 116789560) is 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide is N/C(=N/O)C1CN(CC(F)(F)c2ccccc2)CCO1.
What is the InChIKey of 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is KDPVBNXRCCHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c14-13(15,10-4-2-1-3-5-10)9-18-6-7-20-11(8-18)12(16)17-19/h1-5,11,19H,6-9H2,(H2,16,17).
What are the key properties of 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide?
4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 285.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 116789560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).