2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide

C8H14F3NO — CID 587652

IUPAC2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H14F3NO/c1-5(2)12(6(3)4)7(13)8(9,10)11/h5-6H,1-4H3
InChIKeyDBGATAOZCQOMHN-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.19
Rot. Bonds2

About 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide

2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide (PubChem CID 587652) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide
PubChem CID587652
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H14F3NO/c1-5(2)12(6(3)4)7(13)8(9,10)11/h5-6H,1-4H3
InChIKeyDBGATAOZCQOMHN-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide (CID 587652) is 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide?
The InChIKey is DBGATAOZCQOMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(2)12(6(3)4)7(13)8(9,10)11/h5-6H,1-4H3.
What are the key properties of 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide?
2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide has a molecular weight of 197.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 587652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).