2,2-difluoro-4-methylpentanimidamide

C6H12F2N2 — CID 115011787

IUPAC2,2-difluoro-4-methylpentanimidamide
SMILES[H]/N=C(\N)C(F)(F)CC(C)C
InChIInChI=1S/C6H12F2N2/c1-4(2)3-6(7,8)5(9)10/h4H,3H2,1-2H3,(H3,9,10)
InChIKeyRUAZYYGHSMRBFM-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.60
Rot. Bonds3

About 2,2-difluoro-4-methylpentanimidamide

2,2-difluoro-4-methylpentanimidamide (PubChem CID 115011787) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluoro-4-methylpentanimidamide.

Molecular Properties

Compound Name2,2-difluoro-4-methylpentanimidamide
PubChem CID115011787
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2,2-difluoro-4-methylpentanimidamide
SMILES[H]/N=C(\N)C(F)(F)CC(C)C
InChIInChI=1S/C6H12F2N2/c1-4(2)3-6(7,8)5(9)10/h4H,3H2,1-2H3,(H3,9,10)
InChIKeyRUAZYYGHSMRBFM-UHFFFAOYSA-N
XLogP1.60
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.60
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

4,4,4-Trifluoro-3-methylbutanimidamide
CID 83682014
2,2-Difluorohexanimidamide
CID 88908581
2,2-Difluoropentanimidamide
CID 89535426
4,4,4-Trifluoro-2-methylbutanimidamide
CID 123500667
2-Methyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 83826866
2-Fluoro-4-methylpentanimidamide
CID 115011258
2-Cyclopropyl-2,2-difluoroethanimidamide
CID 115011276
2,2-Difluoro-3-methylbutanimidamide
CID 115011296
(2R)-4,4,4-trifluoro-2-methylbutanimidamide
CID 147100872

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methylpentanimidamide?
The IUPAC name of 2,2-difluoro-4-methylpentanimidamide (CID 115011787) is 2,2-difluoro-4-methylpentanimidamide.
What is the SMILES notation for 2,2-difluoro-4-methylpentanimidamide?
The canonical SMILES for 2,2-difluoro-4-methylpentanimidamide is [H]/N=C(\N)C(F)(F)CC(C)C.
What is the InChIKey of 2,2-difluoro-4-methylpentanimidamide?
The InChIKey is RUAZYYGHSMRBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-4(2)3-6(7,8)5(9)10/h4H,3H2,1-2H3,(H3,9,10).
What are the key properties of 2,2-difluoro-4-methylpentanimidamide?
2,2-difluoro-4-methylpentanimidamide has a molecular weight of 150.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methylpentanimidamide is sourced from PubChem (CID 115011787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).