3-(1,1-difluoropropan-2-ylamino)propanamide

C6H12F2N2O — CID 102868267

IUPAC3-(1,1-difluoropropan-2-ylamino)propanamide
SMILESCC(NCCC(N)=O)C(F)F
InChIInChI=1S/C6H12F2N2O/c1-4(6(7)8)10-3-2-5(9)11/h4,6,10H,2-3H2,1H3,(H2,9,11)
InChIKeyVFBRAAQRTYHDIM-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.10
Rot. Bonds5

About 3-(1,1-difluoropropan-2-ylamino)propanamide

3-(1,1-difluoropropan-2-ylamino)propanamide (PubChem CID 102868267) has the molecular formula C6H12F2N2O and a molecular weight of 166.17 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)propanamide
PubChem CID102868267
Molecular FormulaC6H12F2N2O
Molecular Weight166.17 g/mol
Exact Mass166.09
IUPAC Name3-(1,1-difluoropropan-2-ylamino)propanamide
SMILESCC(NCCC(N)=O)C(F)F
InChIInChI=1S/C6H12F2N2O/c1-4(6(7)8)10-3-2-5(9)11/h4,6,10H,2-3H2,1H3,(H2,9,11)
InChIKeyVFBRAAQRTYHDIM-UHFFFAOYSA-N
XLogP0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(propan-2-ylamino)propanamide
CID 18768059
3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
3-(1-hydroxybutan-2-ylamino)propanamide
CID 43389836
4-[(2,2-difluoroacetyl)amino]butanamide
CID 103515414
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
4-(2,6-dimethylheptan-4-ylamino)butanamide
CID 60863746

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)propanamide?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)propanamide (CID 102868267) is 3-(1,1-difluoropropan-2-ylamino)propanamide.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)propanamide?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)propanamide is CC(NCCC(N)=O)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)propanamide?
The InChIKey is VFBRAAQRTYHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O/c1-4(6(7)8)10-3-2-5(9)11/h4,6,10H,2-3H2,1H3,(H2,9,11).
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)propanamide?
3-(1,1-difluoropropan-2-ylamino)propanamide has a molecular weight of 166.17 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylamino)propanamide is sourced from PubChem (CID 102868267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).