N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide

C10H17F3N2O2 — CID 87529423

IUPACN-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide
SMILESCC(=O)NCC(NC(C)=O)C(CF)(CF)CF
InChIInChI=1S/C10H17F3N2O2/c1-7(16)14-3-9(15-8(2)17)10(4-11,5-12)6-13/h9H,3-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySKDBKCJVGYWRMO-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.52
Rot. Bonds7

About N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide

N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide (PubChem CID 87529423) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide.

Molecular Properties

Compound NameN-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide
PubChem CID87529423
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide
SMILESCC(=O)NCC(NC(C)=O)C(CF)(CF)CF
InChIInChI=1S/C10H17F3N2O2/c1-7(16)14-3-9(15-8(2)17)10(4-11,5-12)6-13/h9H,3-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySKDBKCJVGYWRMO-UHFFFAOYSA-N
XLogP0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide?
The IUPAC name of N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide (CID 87529423) is N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide.
What is the SMILES notation for N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide?
The canonical SMILES for N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide is CC(=O)NCC(NC(C)=O)C(CF)(CF)CF.
What is the InChIKey of N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide?
The InChIKey is SKDBKCJVGYWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(16)14-3-9(15-8(2)17)10(4-11,5-12)6-13/h9H,3-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide?
N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide is sourced from PubChem (CID 87529423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).