N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide

C7H12F3N3 — CID 156732327

IUPACN-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide
SMILES[H]/N=C(/N=C(\N)CC(F)(F)F)C(C)C
InChIInChI=1S/C7H12F3N3/c1-4(2)6(12)13-5(11)3-7(8,9)10/h4H,3H2,1-2H3,(H3,11,12,13)
InChIKeyNKONNOCBBFKBRG-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.93
Rot. Bonds2

About N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide

N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide (PubChem CID 156732327) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide.

Molecular Properties

Compound NameN-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide
PubChem CID156732327
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC NameN-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide
SMILES[H]/N=C(/N=C(\N)CC(F)(F)F)C(C)C
InChIInChI=1S/C7H12F3N3/c1-4(2)6(12)13-5(11)3-7(8,9)10/h4H,3H2,1-2H3,(H3,11,12,13)
InChIKeyNKONNOCBBFKBRG-UHFFFAOYSA-N
XLogP1.93
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide?
The IUPAC name of N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide (CID 156732327) is N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide.
What is the SMILES notation for N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide?
The canonical SMILES for N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide is [H]/N=C(/N=C(\N)CC(F)(F)F)C(C)C.
What is the InChIKey of N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide?
The InChIKey is NKONNOCBBFKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3/c1-4(2)6(12)13-5(11)3-7(8,9)10/h4H,3H2,1-2H3,(H3,11,12,13).
What are the key properties of N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide?
N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide has a molecular weight of 195.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3,3-trifluoropropylidene)-2-methylpropanimidamide is sourced from PubChem (CID 156732327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).