N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide

C7H12F3NO2 — CID 22405555

IUPACN-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
SMILESCCC(NC(C)=O)C(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-5(11-4(2)12)6(13)7(8,9)10/h5-6,13H,3H2,1-2H3,(H,11,12)
InChIKeyZXXQGRJIOITCBM-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.82
Rot. Bonds3

About N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide

N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide (PubChem CID 22405555) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
PubChem CID22405555
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
SMILESCCC(NC(C)=O)C(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-5(11-4(2)12)6(13)7(8,9)10/h5-6,13H,3H2,1-2H3,(H,11,12)
InChIKeyZXXQGRJIOITCBM-UHFFFAOYSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.82
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-trifluoro-2-hydroxypentan-3-yl)acetamide?
The IUPAC name of N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide (CID 22405555) is N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide is CCC(NC(C)=O)C(O)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide?
The InChIKey is ZXXQGRJIOITCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-3-5(11-4(2)12)6(13)7(8,9)10/h5-6,13H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide?
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 22405555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).