3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

C8H17F2N3O2 — CID 107480136

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O2/c1-6(4-8(11)12-15)13(2-3-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12)
InChIKeyWLCCQSCTBUCCRL-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.07
Rot. Bonds7

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 107480136) has the molecular formula C8H17F2N3O2 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID107480136
Molecular FormulaC8H17F2N3O2
Molecular Weight225.24 g/mol
Exact Mass225.13
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(CCO)CC(F)F
InChIInChI=1S/C8H17F2N3O2/c1-6(4-8(11)12-15)13(2-3-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12)
InChIKeyWLCCQSCTBUCCRL-UHFFFAOYSA-N
XLogP0.07
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
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

3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60980113
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanethioamide
CID 107479923
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 76915046
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
N'-hydroxy-3-[pentyl(propan-2-yl)amino]butanimidamide
CID 76911929
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 76912505
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 107480136) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)N(CCO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is WLCCQSCTBUCCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2/c1-6(4-8(11)12-15)13(2-3-14)5-7(9)10/h6-7,14-15H,2-5H2,1H3,(H2,11,12).
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 225.24 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 107480136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).