N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide

C10H20F2N2 — CID 168742256

IUPACN-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide
SMILESCC/C(=N\C(C)C(F)F)NC(C)(C)C
InChIInChI=1S/C10H20F2N2/c1-6-8(14-10(3,4)5)13-7(2)9(11)12/h7,9H,6H2,1-5H3,(H,13,14)
InChIKeyNSXJGVWMFLJOCJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.84
Rot. Bonds3

About N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide

N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide (PubChem CID 168742256) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide
PubChem CID168742256
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC NameN-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide
SMILESCC/C(=N\C(C)C(F)F)NC(C)(C)C
InChIInChI=1S/C10H20F2N2/c1-6-8(14-10(3,4)5)13-7(2)9(11)12/h7,9H,6H2,1-5H3,(H,13,14)
InChIKeyNSXJGVWMFLJOCJ-UHFFFAOYSA-N
XLogP2.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
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-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide?
The IUPAC name of N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide (CID 168742256) is N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide?
The canonical SMILES for N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide is CC/C(=N\C(C)C(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide?
The InChIKey is NSXJGVWMFLJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-6-8(14-10(3,4)5)13-7(2)9(11)12/h7,9H,6H2,1-5H3,(H,13,14).
What are the key properties of N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide?
N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide has a molecular weight of 206.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(1,1-difluoropropan-2-yl)propanimidamide is sourced from PubChem (CID 168742256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).