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

C6H10F3NO2 — CID 121357635

IUPACN-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide
SMILESCOCC(NC(C)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(11)10-5(3-12-2)6(7,8)9/h5H,3H2,1-2H3,(H,10,11)
InChIKeyMYMNZKAHVZCXNM-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.70
Rot. Bonds3

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

N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide (PubChem CID 121357635) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide
PubChem CID121357635
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide
SMILESCOCC(NC(C)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(11)10-5(3-12-2)6(7,8)9/h5H,3H2,1-2H3,(H,10,11)
InChIKeyMYMNZKAHVZCXNM-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide?
The IUPAC name of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide (CID 121357635) is N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide is COCC(NC(C)=O)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide?
The InChIKey is MYMNZKAHVZCXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(11)10-5(3-12-2)6(7,8)9/h5H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide?
N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 121357635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).