2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide

C10H18F3NO — CID 546614

IUPAC2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)5-14(6-8(3)4)9(15)10(11,12)13/h7-8H,5-6H2,1-4H3
InChIKeyARMHXPWZLHOISC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.69
Rot. Bonds4

About 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide

2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide (PubChem CID 546614) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide
PubChem CID546614
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)5-14(6-8(3)4)9(15)10(11,12)13/h7-8H,5-6H2,1-4H3
InChIKeyARMHXPWZLHOISC-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.69
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-bis(2-methylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide (CID 546614) is 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is ARMHXPWZLHOISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)5-14(6-8(3)4)9(15)10(11,12)13/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide?
2,2,2-trifluoro-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.69, 4 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-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 546614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).