N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide

C7H12F4N2O2 — CID 43368846

IUPACN'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
SMILESCC(COCC(F)(F)C(F)F)/C(N)=N/O
InChIInChI=1S/C7H12F4N2O2/c1-4(5(12)13-14)2-15-3-7(10,11)6(8)9/h4,6,14H,2-3H2,1H3,(H2,12,13)
InChIKeyDVLGQTAPBKUFHI-UHFFFAOYSA-N
MW232.18 g/mol
LogP1.29
Rot. Bonds6

About N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide

N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide (PubChem CID 43368846) has the molecular formula C7H12F4N2O2 and a molecular weight of 232.18 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
PubChem CID43368846
Molecular FormulaC7H12F4N2O2
Molecular Weight232.18 g/mol
Exact Mass232.08
IUPAC NameN'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
SMILESCC(COCC(F)(F)C(F)F)/C(N)=N/O
InChIInChI=1S/C7H12F4N2O2/c1-4(5(12)13-14)2-15-3-7(10,11)6(8)9/h4,6,14H,2-3H2,1H3,(H2,12,13)
InChIKeyDVLGQTAPBKUFHI-UHFFFAOYSA-N
XLogP1.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 51.29
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide (CID 43368846) is N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide is CC(COCC(F)(F)C(F)F)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The InChIKey is DVLGQTAPBKUFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2O2/c1-4(5(12)13-14)2-15-3-7(10,11)6(8)9/h4,6,14H,2-3H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide has a molecular weight of 232.18 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide is sourced from PubChem (CID 43368846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).