(2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide

C7H13F2NO2 — CID 130636517

IUPAC(2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC(C)(C)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(11)5(12)10-7(2,3)6(8)9/h4,6,11H,1-3H3,(H,10,12)/t4-/m0/s1
InChIKeyXAOAXQFPHQQWAL-BYPYZUCNSA-N
MW181.18 g/mol
LogP0.53
Rot. Bonds3

About (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide

(2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide (PubChem CID 130636517) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide
PubChem CID130636517
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name(2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC(C)(C)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(11)5(12)10-7(2,3)6(8)9/h4,6,11H,1-3H3,(H,10,12)/t4-/m0/s1
InChIKeyXAOAXQFPHQQWAL-BYPYZUCNSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide?
The IUPAC name of (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide (CID 130636517) is (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide is C[C@H](O)C(=O)NC(C)(C)C(F)F.
What is the InChIKey of (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide?
The InChIKey is XAOAXQFPHQQWAL-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-4(11)5(12)10-7(2,3)6(8)9/h4,6,11H,1-3H3,(H,10,12)/t4-/m0/s1.
What are the key properties of (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide?
(2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide has a molecular weight of 181.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,1-difluoro-2-methylpropan-2-yl)-2-hydroxypropanamide is sourced from PubChem (CID 130636517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).