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

C7H14F2N2O — CID 103600605

IUPACN-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
SMILESCN(C)CCCNC(=O)C(F)F
InChIInChI=1S/C7H14F2N2O/c1-11(2)5-3-4-10-7(12)6(8)9/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyKUXSRMZLQZDZHY-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.32
Rot. Bonds5

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

N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide (PubChem CID 103600605) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
PubChem CID103600605
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC NameN-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
SMILESCN(C)CCCNC(=O)C(F)F
InChIInChI=1S/C7H14F2N2O/c1-11(2)5-3-4-10-7(12)6(8)9/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyKUXSRMZLQZDZHY-UHFFFAOYSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.32
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-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide
CID 91693980
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
4-[(2,2-difluoroacetyl)amino]butanamide
CID 103515414
N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
CID 130379782
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
1-[3-(dimethylamino)propyl]-3-prop-2-ynylurea
CID 129322553
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N,N'-bis[1-[3-(dimethylamino)propylamino]-1-oxo-3-sulfanylpropan-2-yl]propanediamide
CID 87759704

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide (CID 103600605) is N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide is CN(C)CCCNC(=O)C(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide?
The InChIKey is KUXSRMZLQZDZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-11(2)5-3-4-10-7(12)6(8)9/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide?
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide has a molecular weight of 180.20 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103600605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).