N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide

C8H16F2N2 — CID 168742395

IUPACN'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)C(F)F)NC(C)C
InChIInChI=1S/C8H16F2N2/c1-5(2)11-7(4)12-6(3)8(9)10/h5-6,8H,1-4H3,(H,11,12)
InChIKeyAYYRRNKEYOKVKX-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.06
Rot. Bonds3

About N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide

N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide (PubChem CID 168742395) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide
PubChem CID168742395
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)C(F)F)NC(C)C
InChIInChI=1S/C8H16F2N2/c1-5(2)11-7(4)12-6(3)8(9)10/h5-6,8H,1-4H3,(H,11,12)
InChIKeyAYYRRNKEYOKVKX-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.06
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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Related Compounds

N,N'-di(propan-2-yl)ethanimidamide
CID 11205611
tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium
CID 158470992
cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)
CID 172756363
N'-butan-2-yl-N-propan-2-ylethanimidamide
CID 86038990
N'-ethyl-N-propan-2-ylethanimidamide
CID 21064634
N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 168742254
1,2,3-tri(propan-2-yl)guanidine
CID 547015
N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 162108259
ethane;N-prop-1-en-2-ylpropan-2-amine
CID 143917378
2-methyl-1,3-di(propan-2-yl)guanidine
CID 21364757
N-propan-2-yl-N'-[[3-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 159070681
2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
CID 106148866

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide?
The IUPAC name of N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide (CID 168742395) is N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide.
What is the SMILES notation for N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide?
The canonical SMILES for N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide is C/C(=N\C(C)C(F)F)NC(C)C.
What is the InChIKey of N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide?
The InChIKey is AYYRRNKEYOKVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-5(2)11-7(4)12-6(3)8(9)10/h5-6,8H,1-4H3,(H,11,12).
What are the key properties of N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide?
N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide has a molecular weight of 178.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide is sourced from PubChem (CID 168742395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).