3-(2,2-difluoroethoxy)-N'-propylpropanimidamide

C8H16F2N2O — CID 103150890

IUPAC3-(2,2-difluoroethoxy)-N'-propylpropanimidamide
SMILESCCC/N=C(/N)CCOCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-2-4-12-8(11)3-5-13-6-7(9)10/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyRBTGXNNZMZZOBC-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.43
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide

3-(2,2-difluoroethoxy)-N'-propylpropanimidamide (PubChem CID 103150890) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N'-propylpropanimidamide
PubChem CID103150890
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name3-(2,2-difluoroethoxy)-N'-propylpropanimidamide
SMILESCCC/N=C(/N)CCOCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-2-4-12-8(11)3-5-13-6-7(9)10/h7H,2-6H2,1H3,(H2,11,12)
InChIKeyRBTGXNNZMZZOBC-UHFFFAOYSA-N
XLogP1.43
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[3-(2,2-difluoroethoxy)propanoyl]propanedioate
CID 103150185
N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide
CID 103211890
(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
CID 103151205
1-(2,2-difluoroethoxy)-4-methylpentan-3-one
CID 103147305
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
3-(2,2-difluoroethoxy)propanoyl chloride
CID 103208649
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208416
2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
CID 116732335
2-(2-methylpropylsulfanyl)-N'-propylethanimidamide
CID 65137142
(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
CID 103151201
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide (CID 103150890) is 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide is CCC/N=C(/N)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide?
The InChIKey is RBTGXNNZMZZOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-2-4-12-8(11)3-5-13-6-7(9)10/h7H,2-6H2,1H3,(H2,11,12).
What are the key properties of 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide?
3-(2,2-difluoroethoxy)-N'-propylpropanimidamide has a molecular weight of 194.22 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N'-propylpropanimidamide is sourced from PubChem (CID 103150890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).