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

C6H12F2N2O2 — CID 106170805

IUPAC3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c1-3(5(7)8)10-2-4(11)6(9)12/h3-5,10-11H,2H2,1H3,(H2,9,12)
InChIKeyDUVBYVZTDZVUIO-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.92
Rot. Bonds5

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

3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide (PubChem CID 106170805) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide
PubChem CID106170805
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c1-3(5(7)8)10-2-4(11)6(9)12/h3-5,10-11H,2H2,1H3,(H2,9,12)
InChIKeyDUVBYVZTDZVUIO-UHFFFAOYSA-N
XLogP-0.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 57278446
3,3,3-trifluoro-2-hydroxy-N-propan-2-ylpropanamide
CID 59706235
(2S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide
CID 117774595
(2S)-2-hydroxy-N-[(2R)-1,1,1-trifluoropropan-2-yl]propanamide
CID 117774886
3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 118525693
N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide
CID 123473982
N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide
CID 123480623
2-hydroxy-N-(1,1,1-trifluoropropan-2-yl)propanamide
CID 130830699
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide
CID 134260999
2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349745
2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide
CID 135232904

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide (CID 106170805) is 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide is CC(NCC(O)C(N)=O)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide?
The InChIKey is DUVBYVZTDZVUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-3(5(7)8)10-2-4(11)6(9)12/h3-5,10-11H,2H2,1H3,(H2,9,12).
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide?
3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide has a molecular weight of 182.17 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106170805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).