N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane

C23H58F10N2O2 — CID 159958279

IUPACN-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane
SMILESC.C.C.C.C.C.CC(C)(COC(F)CF)C(=O)NCCCN.CCCF.CF.FCC(F)(F)F.FCF
InChIInChI=1S/C10H20F2N2O2.C3H7F.C2H2F4.CH2F2.CH3F.6CH4/c1-10(2,7-16-8(12)6-11)9(15)14-5-3-4-13;1-2-3-4;3-1-2(4,5)6;2-1-3;1-2;;;;;;/h8H,3-7,13H2,1-2H3,(H,14,15);2-3H2,1H3;1H2;1H2;1H3;6*1H4
InChIKeyOCZLNJMTYGOBIE-UHFFFAOYSA-N
MW584.71 g/mol
LogP8.93
Rot. Bonds9

About N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane

N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane (PubChem CID 159958279) has the molecular formula C23H58F10N2O2 and a molecular weight of 584.71 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane
PubChem CID159958279
Molecular FormulaC23H58F10N2O2
Molecular Weight584.71 g/mol
Exact Mass584.43
IUPAC NameN-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane
SMILESC.C.C.C.C.C.CC(C)(COC(F)CF)C(=O)NCCCN.CCCF.CF.FCC(F)(F)F.FCF
InChIInChI=1S/C10H20F2N2O2.C3H7F.C2H2F4.CH2F2.CH3F.6CH4/c1-10(2,7-16-8(12)6-11)9(15)14-5-3-4-13;1-2-3-4;3-1-2(4,5)6;2-1-3;1-2;;;;;;/h8H,3-7,13H2,1-2H3,(H,14,15);2-3H2,1H3;1H2;1H2;1H3;6*1H4
InChIKeyOCZLNJMTYGOBIE-UHFFFAOYSA-N
XLogP8.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.71
LogP ≤ 58.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane?
The IUPAC name of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane (CID 159958279) is N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane?
The canonical SMILES for N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane is C.C.C.C.C.C.CC(C)(COC(F)CF)C(=O)NCCCN.CCCF.CF.FCC(F)(F)F.FCF.
What is the InChIKey of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane?
The InChIKey is OCZLNJMTYGOBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2.C3H7F.C2H2F4.CH2F2.CH3F.6CH4/c1-10(2,7-16-8(12)6-11)9(15)14-5-3-4-13;1-2-3-4;3-1-2(4,5)6;2-1-3;1-2;;;;;;/h8H,3-7,13H2,1-2H3,(H,14,15);2-3H2,1H3;1H2;1H2;1H3;6*1H4.
What are the key properties of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane?
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane has a molecular weight of 584.71 g/mol, XLogP of 8.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide;difluoromethane;fluoromethane;1-fluoropropane;methane;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 159958279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).