3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide

C8H16F3N3O — CID 107480299

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-6(7(12)13)4-14(2-3-15)5-8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13)
InChIKeyKIHHEMKRMQVCKX-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.42
Rot. Bonds6

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide (PubChem CID 107480299) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
PubChem CID107480299
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-6(7(12)13)4-14(2-3-15)5-8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13)
InChIKeyKIHHEMKRMQVCKX-UHFFFAOYSA-N
XLogP0.42
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.42
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

3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61577915
3-[2-Methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61662607
3-[2,2-Difluoroethyl(2-methoxyethyl)amino]propanimidamide
CID 63285679
3-[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 63286213
3-[2-Methoxyethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 64566496
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]-2-methylpropanimidamide
CID 65803464
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803672
2-Methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803673
3-[2-Methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803878
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide (CID 107480299) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
The InChIKey is KIHHEMKRMQVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-6(7(12)13)4-14(2-3-15)5-8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide has a molecular weight of 227.23 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 107480299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).