N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide

C9H16F3NO — CID 115190375

IUPACN-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide
SMILESCCCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-5-8(2,3)6-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyAHPPXECJQQJEDU-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.49
Rot. Bonds4

About N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide

N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide (PubChem CID 115190375) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide
PubChem CID115190375
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide
SMILESCCCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-5-8(2,3)6-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyAHPPXECJQQJEDU-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-dimethylpentyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide (CID 115190375) is N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide is CCCC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide?
The InChIKey is AHPPXECJQQJEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-5-8(2,3)6-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide?
N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide has a molecular weight of 211.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 115190375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).