4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide

C10H21F2N3O — CID 107480278

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCO)CC(F)F
InChIInChI=1S/C10H21F2N3O/c1-10(2,9(13)14)3-4-15(5-6-16)7-8(11)12/h8,16H,3-7H2,1-2H3,(H3,13,14)
InChIKeyFNRJBHKUIURYNB-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.90
Rot. Bonds8

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 107480278) has the molecular formula C10H21F2N3O and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
PubChem CID107480278
Molecular FormulaC10H21F2N3O
Molecular Weight237.29 g/mol
Exact Mass237.17
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCO)CC(F)F
InChIInChI=1S/C10H21F2N3O/c1-10(2,9(13)14)3-4-15(5-6-16)7-8(11)12/h8,16H,3-7H2,1-2H3,(H3,13,14)
InChIKeyFNRJBHKUIURYNB-UHFFFAOYSA-N
XLogP0.90
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.90
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'}

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Related Compounds

2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107480135
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107480139
N'-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480163
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 107480179
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanimidamide
CID 107480269
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
CID 107480271
2-[1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480282
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480297
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 107480299
6-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480302

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide (CID 107480278) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CCO)CC(F)F.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is FNRJBHKUIURYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3O/c1-10(2,9(13)14)3-4-15(5-6-16)7-8(11)12/h8,16H,3-7H2,1-2H3,(H3,13,14).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 237.29 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 107480278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).