N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide

C6H7F6NO2 — CID 134260999

IUPACN-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-2(14)3(15)13-4(5(7,8)9)6(10,11)12/h2,4,14H,1H3,(H,13,15)
InChIKeyAXAIYZZFMLOEFF-UHFFFAOYSA-N
MW239.12 g/mol
LogP0.98
Rot. Bonds2

About N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide (PubChem CID 134260999) has the molecular formula C6H7F6NO2 and a molecular weight of 239.12 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide
PubChem CID134260999
Molecular FormulaC6H7F6NO2
Molecular Weight239.12 g/mol
Exact Mass239.04
IUPAC NameN-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-2(14)3(15)13-4(5(7,8)9)6(10,11)12/h2,4,14H,1H3,(H,13,15)
InChIKeyAXAIYZZFMLOEFF-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide (CID 134260999) is N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide is CC(O)C(=O)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide?
The InChIKey is AXAIYZZFMLOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c1-2(14)3(15)13-4(5(7,8)9)6(10,11)12/h2,4,14H,1H3,(H,13,15).
What are the key properties of N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide?
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide has a molecular weight of 239.12 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxypropanamide is sourced from PubChem (CID 134260999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).