2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide

C13H21F2NO3 — CID 97329760

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)C1(O)CCC1
InChIInChI=1S/C13H21F2NO3/c1-19-10-6-3-2-5-9(10)16-11(17)13(14,15)12(18)7-4-8-12/h9-10,18H,2-8H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyGSLNOAAFNFEAQM-UWVGGRQHSA-N
MW277.31 g/mol
LogP1.61
Rot. Bonds4

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide (PubChem CID 97329760) 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-[(1S,2S)-2-methoxycyclohexyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
PubChem CID97329760
Molecular FormulaC13H21F2NO3
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)C1(O)CCC1
InChIInChI=1S/C13H21F2NO3/c1-19-10-6-3-2-5-9(10)16-11(17)13(14,15)12(18)7-4-8-12/h9-10,18H,2-8H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyGSLNOAAFNFEAQM-UWVGGRQHSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.61
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-[(1S,2S)-2-methoxycyclohexyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide (CID 97329760) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide is CO[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)C1(O)CCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide?
The InChIKey is GSLNOAAFNFEAQM-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21F2NO3/c1-19-10-6-3-2-5-9(10)16-11(17)13(14,15)12(18)7-4-8-12/h9-10,18H,2-8H2,1H3,(H,16,17)/t9-,10-/m0/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-methoxycyclohexyl]acetamide has a molecular weight of 277.31 g/mol, XLogP of 1.61, 4 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-[(1S,2S)-2-methoxycyclohexyl]acetamide is sourced from PubChem (CID 97329760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).