N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide

C9H16F3NO — CID 167041845

IUPACN-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide
SMILESCCC(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H16F3NO/c1-5-6(8(2,3)4)13-7(14)9(10,11)12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyKYZULUAWFVSTLH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.49
Rot. Bonds2

About N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide

N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 167041845) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide
PubChem CID167041845
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide
SMILESCCC(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H16F3NO/c1-5-6(8(2,3)4)13-7(14)9(10,11)12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyKYZULUAWFVSTLH-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide (CID 167041845) is N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide is CCC(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is KYZULUAWFVSTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-5-6(8(2,3)4)13-7(14)9(10,11)12/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide?
N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 211.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpentan-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167041845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).