2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C13H23F2NO2 — CID 107482346

IUPAC2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CCCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C13H23F2NO2/c14-12(15)10-16(7-8-17)13(18)9-11-5-3-1-2-4-6-11/h11-12,17H,1-10H2
InChIKeySZULXMAKHQWBNP-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.43
Rot. Bonds6

About 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482346) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482346
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1CCCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C13H23F2NO2/c14-12(15)10-16(7-8-17)13(18)9-11-5-3-1-2-4-6-11/h11-12,17H,1-10H2
InChIKeySZULXMAKHQWBNP-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107482346) is 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is O=C(CC1CCCCCC1)N(CCO)CC(F)F.
What is the InChIKey of 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is SZULXMAKHQWBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c14-12(15)10-16(7-8-17)13(18)9-11-5-3-1-2-4-6-11/h11-12,17H,1-10H2.
What are the key properties of 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 263.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).