3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide

C8H15F2N3O — CID 76911842

IUPAC3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC(F)F)C1CC1)=NO
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-13(6-1-2-6)4-3-8(11)12-14/h6-7,14H,1-5H2,(H2,11,12)
InChIKeyNTXSZDYKVDPXLW-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.85
Rot. Bonds6

About 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76911842) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76911842
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(CC(F)F)C1CC1)=NO
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-13(6-1-2-6)4-3-8(11)12-14/h6-7,14H,1-5H2,(H2,11,12)
InChIKeyNTXSZDYKVDPXLW-UHFFFAOYSA-N
XLogP0.85
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide (CID 76911842) is 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(CC(F)F)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is NTXSZDYKVDPXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c9-7(10)5-13(6-1-2-6)4-3-8(11)12-14/h6-7,14H,1-5H2,(H2,11,12).
What are the key properties of 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 207.22 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2-difluoroethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).