N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide

C12H15F4N3O — CID 106293122

IUPACN'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
SMILESN/C(CC(NCC(F)(F)C(F)F)c1ccccc1)=N/O
InChIInChI=1S/C12H15F4N3O/c13-11(14)12(15,16)7-18-9(6-10(17)19-20)8-4-2-1-3-5-8/h1-5,9,11,18,20H,6-7H2,(H2,17,19)
InChIKeyIEAWSFKLPLRTPA-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.35
Rot. Bonds7

About N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide

N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide (PubChem CID 106293122) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
PubChem CID106293122
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC NameN'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
SMILESN/C(CC(NCC(F)(F)C(F)F)c1ccccc1)=N/O
InChIInChI=1S/C12H15F4N3O/c13-11(14)12(15,16)7-18-9(6-10(17)19-20)8-4-2-1-3-5-8/h1-5,9,11,18,20H,6-7H2,(H2,17,19)
InChIKeyIEAWSFKLPLRTPA-UHFFFAOYSA-N
XLogP2.35
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.35
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
CID 115356452
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
CID 77025730
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
CID 106350283
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide (CID 106293122) is N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide is N/C(CC(NCC(F)(F)C(F)F)c1ccccc1)=N/O.
What is the InChIKey of N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide?
The InChIKey is IEAWSFKLPLRTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c13-11(14)12(15,16)7-18-9(6-10(17)19-20)8-4-2-1-3-5-8/h1-5,9,11,18,20H,6-7H2,(H2,17,19).
What are the key properties of N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide?
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide has a molecular weight of 293.26 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide is sourced from PubChem (CID 106293122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).