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

C10H17F2NO2 — CID 154947090

IUPACN-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide
SMILESCC(=O)NCC(F)(F)C[C@@H]1CCCCO1
InChIInChI=1S/C10H17F2NO2/c1-8(14)13-7-10(11,12)6-9-4-2-3-5-15-9/h9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJVCQYYHAHBTLFR-VIFPVBQESA-N
MW221.25 g/mol
LogP1.72
Rot. Bonds4

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

N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide (PubChem CID 154947090) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide
PubChem CID154947090
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide
SMILESCC(=O)NCC(F)(F)C[C@@H]1CCCCO1
InChIInChI=1S/C10H17F2NO2/c1-8(14)13-7-10(11,12)6-9-4-2-3-5-15-9/h9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJVCQYYHAHBTLFR-VIFPVBQESA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide?
The IUPAC name of N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide (CID 154947090) is N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide.
What is the SMILES notation for N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide?
The canonical SMILES for N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide is CC(=O)NCC(F)(F)C[C@@H]1CCCCO1.
What is the InChIKey of N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide?
The InChIKey is JVCQYYHAHBTLFR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-8(14)13-7-10(11,12)6-9-4-2-3-5-15-9/h9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide?
N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide has a molecular weight of 221.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-3-[(2S)-oxan-2-yl]propyl]acetamide is sourced from PubChem (CID 154947090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).