2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide

C8H16F2N2O — CID 115406651

IUPAC2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-5(2)12-8(13)6(3)11-4-7(9)10/h5-7,11H,4H2,1-3H3,(H,12,13)
InChIKeyWCEFCSSDSMGIOY-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.75
Rot. Bonds5

About 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide

2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide (PubChem CID 115406651) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
PubChem CID115406651
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC(F)F
InChIInChI=1S/C8H16F2N2O/c1-5(2)12-8(13)6(3)11-4-7(9)10/h5-7,11H,4H2,1-3H3,(H,12,13)
InChIKeyWCEFCSSDSMGIOY-UHFFFAOYSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide
CID 113406919
1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide (CID 115406651) is 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide?
The InChIKey is WCEFCSSDSMGIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-5(2)12-8(13)6(3)11-4-7(9)10/h5-7,11H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide?
2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide has a molecular weight of 194.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 115406651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).