N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide

C7H13F3N2O2 — CID 77102469

IUPACN'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
SMILESCCC(OC(C)C(F)(F)F)C(N)=NO
InChIInChI=1S/C7H13F3N2O2/c1-3-5(6(11)12-13)14-4(2)7(8,9)10/h4-5,13H,3H2,1-2H3,(H2,11,12)
InChIKeyVBPHQCMWLPPBBB-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.48
Rot. Bonds4

About N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide

N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide (PubChem CID 77102469) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
PubChem CID77102469
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
SMILESCCC(OC(C)C(F)(F)F)C(N)=NO
InChIInChI=1S/C7H13F3N2O2/c1-3-5(6(11)12-13)14-4(2)7(8,9)10/h4-5,13H,3H2,1-2H3,(H2,11,12)
InChIKeyVBPHQCMWLPPBBB-UHFFFAOYSA-N
XLogP1.48
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66274618
N'-hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanimidamide
CID 103939505
2-(3-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 76915790
3,3,3-trifluoro-N'-hydroxy-2-(2-methylbutan-2-yloxymethyl)propanimidamide
CID 103370388
(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
CID 123956670
2-amino-N'-hydroxybutanimidamide
CID 14024494
N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide
CID 103177865
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627
2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43369057
2,2-diethoxy-N'-hydroxyethanimidamide
CID 40607073
3,3,3-trifluoro-N'-hydroxy-2-(propylaminomethyl)propanimidamide
CID 103369564

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The IUPAC name of N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide (CID 77102469) is N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide is CCC(OC(C)C(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The InChIKey is VBPHQCMWLPPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-3-5(6(11)12-13)14-4(2)7(8,9)10/h4-5,13H,3H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide has a molecular weight of 214.19 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide is sourced from PubChem (CID 77102469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).