2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide

C17H21F2NO3 — CID 86771093

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide
SMILESO=C(NCC1CCOC1c1ccccc1)C(F)(F)C1(O)CCC1
InChIInChI=1S/C17H21F2NO3/c18-17(19,16(22)8-4-9-16)15(21)20-11-13-7-10-23-14(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,22H,4,7-11H2,(H,20,21)
InChIKeyDZIKLYPZHZUTKK-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.43
Rot. Bonds5

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide (PubChem CID 86771093) has the molecular formula C17H21F2NO3 and a molecular weight of 325.35 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide
PubChem CID86771093
Molecular FormulaC17H21F2NO3
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide
SMILESO=C(NCC1CCOC1c1ccccc1)C(F)(F)C1(O)CCC1
InChIInChI=1S/C17H21F2NO3/c18-17(19,16(22)8-4-9-16)15(21)20-11-13-7-10-23-14(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,22H,4,7-11H2,(H,20,21)
InChIKeyDZIKLYPZHZUTKK-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide (CID 86771093) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide is O=C(NCC1CCOC1c1ccccc1)C(F)(F)C1(O)CCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide?
The InChIKey is DZIKLYPZHZUTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO3/c18-17(19,16(22)8-4-9-16)15(21)20-11-13-7-10-23-14(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,22H,4,7-11H2,(H,20,21).
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 86771093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).