2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide

C6H11F2NO2 — CID 170609804

IUPAC2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)CO
InChIInChI=1S/C6H11F2NO2/c1-4(2)9-5(11)6(7,8)3-10/h4,10H,3H2,1-2H3,(H,9,11)
InChIKeyWKZNABVJNXEGGI-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.14
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide

2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide (PubChem CID 170609804) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide
PubChem CID170609804
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)CO
InChIInChI=1S/C6H11F2NO2/c1-4(2)9-5(11)6(7,8)3-10/h4,10H,3H2,1-2H3,(H,9,11)
InChIKeyWKZNABVJNXEGGI-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide?
The IUPAC name of 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide (CID 170609804) is 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide is CC(C)NC(=O)C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide?
The InChIKey is WKZNABVJNXEGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-4(2)9-5(11)6(7,8)3-10/h4,10H,3H2,1-2H3,(H,9,11).
What are the key properties of 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide?
2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide has a molecular weight of 167.15 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 170609804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).