3,3,3-trifluoro-2-methylpropanimidamide

C4H7F3N2 — CID 83681781

IUPAC3,3,3-trifluoro-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H3,8,9)
InChIKeyOCVLZBPHCNFXCL-UHFFFAOYSA-N
MW140.11 g/mol
LogP1.12
Rot. Bonds1

About 3,3,3-trifluoro-2-methylpropanimidamide

3,3,3-trifluoro-2-methylpropanimidamide (PubChem CID 83681781) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylpropanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylpropanimidamide
PubChem CID83681781
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Name3,3,3-trifluoro-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H3,8,9)
InChIKeyOCVLZBPHCNFXCL-UHFFFAOYSA-N
XLogP1.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

3,3,3-Trifluoropropanimidamide
CID 18511209
4,4,4-Trifluorobutanimidamide
CID 20132303
2,2-Difluorocyclopropanecarboximidamide
CID 72218518
4,4,4-Trifluoro-3-methylbutanimidamide
CID 83682014
4,4,4-Trifluoro-2-methylbutanimidamide
CID 123500667
N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide
CID 156732327
3,3-Difluoropropanimidamide
CID 60921770
4,4,4-Trifluoro-3-(trifluoromethyl)butanimidamide
CID 145912914
(2R)-4,4,4-trifluoro-2-methylbutanimidamide
CID 147100872
2-(Trifluoromethyl)propanediimidamide
CID 152184803
3,3,3-Trifluoro-2-(trifluoromethyl)propanimidamide
CID 165633234
3,3-Difluorobutanimidamide
CID 165653442

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methylpropanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-methylpropanimidamide (CID 83681781) is 3,3,3-trifluoro-2-methylpropanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methylpropanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-methylpropanimidamide is [H]/N=C(\N)C(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methylpropanimidamide?
The InChIKey is OCVLZBPHCNFXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2/c1-2(3(8)9)4(5,6)7/h2H,1H3,(H3,8,9).
What are the key properties of 3,3,3-trifluoro-2-methylpropanimidamide?
3,3,3-trifluoro-2-methylpropanimidamide has a molecular weight of 140.11 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methylpropanimidamide is sourced from PubChem (CID 83681781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).