N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide

C11H19F2NO2 — CID 154947115

IUPACN-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(F)(F)C[C@@H]1CCCCO1
InChIInChI=1S/C11H19F2NO2/c1-8(14-9(2)15)11(12,13)7-10-5-3-4-6-16-10/h8,10H,3-7H2,1-2H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyIRAVKEZQXWHWHH-HTLJXXAVSA-N
MW235.27 g/mol
LogP2.11
Rot. Bonds4

About N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide

N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide (PubChem CID 154947115) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide
PubChem CID154947115
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(F)(F)C[C@@H]1CCCCO1
InChIInChI=1S/C11H19F2NO2/c1-8(14-9(2)15)11(12,13)7-10-5-3-4-6-16-10/h8,10H,3-7H2,1-2H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyIRAVKEZQXWHWHH-HTLJXXAVSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide?
The IUPAC name of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide (CID 154947115) is N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide is CC(=O)NC(C)C(F)(F)C[C@@H]1CCCCO1.
What is the InChIKey of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide?
The InChIKey is IRAVKEZQXWHWHH-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-8(14-9(2)15)11(12,13)7-10-5-3-4-6-16-10/h8,10H,3-7H2,1-2H3,(H,14,15)/t8?,10-/m0/s1.
What are the key properties of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide?
N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide has a molecular weight of 235.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide is sourced from PubChem (CID 154947115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).