2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide

C13H21F2NO3 — CID 97329900

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
SMILESC[C@@]1(CO)CCC[C@H]1NC(=O)C(F)(F)C1(O)CCC1
InChIInChI=1S/C13H21F2NO3/c1-11(8-17)5-2-4-9(11)16-10(18)13(14,15)12(19)6-3-7-12/h9,17,19H,2-8H2,1H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyMTEJOIMOEMZCCG-KOLCDFICSA-N
MW277.31 g/mol
LogP1.20
Rot. Bonds4

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide (PubChem CID 97329900) has the molecular formula C13H21F2NO3 and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
PubChem CID97329900
Molecular FormulaC13H21F2NO3
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
SMILESC[C@@]1(CO)CCC[C@H]1NC(=O)C(F)(F)C1(O)CCC1
InChIInChI=1S/C13H21F2NO3/c1-11(8-17)5-2-4-9(11)16-10(18)13(14,15)12(19)6-3-7-12/h9,17,19H,2-8H2,1H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyMTEJOIMOEMZCCG-KOLCDFICSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide (CID 97329900) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide is C[C@@]1(CO)CCC[C@H]1NC(=O)C(F)(F)C1(O)CCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide?
The InChIKey is MTEJOIMOEMZCCG-KOLCDFICSA-N. The full InChI is InChI=1S/C13H21F2NO3/c1-11(8-17)5-2-4-9(11)16-10(18)13(14,15)12(19)6-3-7-12/h9,17,19H,2-8H2,1H3,(H,16,18)/t9-,11+/m1/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide has a molecular weight of 277.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide is sourced from PubChem (CID 97329900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).