2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide

C6H10F3NO2 — CID 3397679

IUPAC2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-4(3-11)10-5(12)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyDPTJDRDWPOSORG-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide

2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 3397679) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID3397679
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-4(3-11)10-5(12)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyDPTJDRDWPOSORG-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide (CID 3397679) is 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is DPTJDRDWPOSORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-4(3-11)10-5(12)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide?
2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 3397679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).