N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide

C8H16F2N2O — CID 90205971

IUPACN-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
SMILESCCC(F)(F)C(=O)NCCN(C)C
InChIInChI=1S/C8H16F2N2O/c1-4-8(9,10)7(13)11-5-6-12(2)3/h4-6H2,1-3H3,(H,11,13)
InChIKeyZQECWDFSJBGBBY-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.71
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide

N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide (PubChem CID 90205971) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
PubChem CID90205971
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
SMILESCCC(F)(F)C(=O)NCCN(C)C
InChIInChI=1S/C8H16F2N2O/c1-4-8(9,10)7(13)11-5-6-12(2)3/h4-6H2,1-3H3,(H,11,13)
InChIKeyZQECWDFSJBGBBY-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
4-(2,2-difluorobutanoylamino)butanoic acid
CID 89018957
N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025
N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
tert-butyl 3-(2,2-difluorobutanoylamino)propanoate
CID 88588037
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-propan-2-yloxypropanamide
CID 88930452
1-(dimethylamino)-5,5-difluoroheptan-4-one
CID 158665123
2-(dimethylamino)ethylurea
CID 16785331
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-2-propan-2-ylpentanamide
CID 166995281

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide (CID 90205971) is N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide is CCC(F)(F)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide?
The InChIKey is ZQECWDFSJBGBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-4-8(9,10)7(13)11-5-6-12(2)3/h4-6H2,1-3H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide?
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide has a molecular weight of 194.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide is sourced from PubChem (CID 90205971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).