2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C12H21F2NO2 — CID 104857532

IUPAC2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CC1CCCCCC1)NCC(F)(F)CO
InChIInChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-11(17)7-10-5-3-1-2-4-6-10/h10,16H,1-9H2,(H,15,17)
InChIKeyCSZRTRDMCCKAQC-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.09
Rot. Bonds5

About 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104857532) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104857532
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CC1CCCCCC1)NCC(F)(F)CO
InChIInChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-11(17)7-10-5-3-1-2-4-6-10/h10,16H,1-9H2,(H,15,17)
InChIKeyCSZRTRDMCCKAQC-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104857532) is 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(CC1CCCCCC1)NCC(F)(F)CO.
What is the InChIKey of 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is CSZRTRDMCCKAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c13-12(14,9-16)8-15-11(17)7-10-5-3-1-2-4-6-10/h10,16H,1-9H2,(H,15,17).
What are the key properties of 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 249.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104857532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).