N-[3-(diethylamino)propyl]-2,2-difluoroacetamide

C9H18F2N2O — CID 103600714

IUPACN-[3-(diethylamino)propyl]-2,2-difluoroacetamide
SMILESCCN(CC)CCCNC(=O)C(F)F
InChIInChI=1S/C9H18F2N2O/c1-3-13(4-2)7-5-6-12-9(14)8(10)11/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyIXMLEABJCVRNCH-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.10
Rot. Bonds7

About N-[3-(diethylamino)propyl]-2,2-difluoroacetamide

N-[3-(diethylamino)propyl]-2,2-difluoroacetamide (PubChem CID 103600714) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2,2-difluoroacetamide
PubChem CID103600714
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC NameN-[3-(diethylamino)propyl]-2,2-difluoroacetamide
SMILESCCN(CC)CCCNC(=O)C(F)F
InChIInChI=1S/C9H18F2N2O/c1-3-13(4-2)7-5-6-12-9(14)8(10)11/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyIXMLEABJCVRNCH-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
CID 107471013
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
4-[(2,2-difluoroacetyl)amino]butanamide
CID 103515414
2-[3-(diethylamino)propylcarbamoylamino]butanoic acid
CID 61189654
N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane
CID 142817480
1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
CID 108893604
N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926351

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2,2-difluoroacetamide (CID 103600714) is N-[3-(diethylamino)propyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2,2-difluoroacetamide is CCN(CC)CCCNC(=O)C(F)F.
What is the InChIKey of N-[3-(diethylamino)propyl]-2,2-difluoroacetamide?
The InChIKey is IXMLEABJCVRNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-3-13(4-2)7-5-6-12-9(14)8(10)11/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(diethylamino)propyl]-2,2-difluoroacetamide?
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide has a molecular weight of 208.25 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103600714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).