N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide

C14H22F2N2O — CID 119050715

IUPACN-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide
SMILESO=C(CNC1CC2CC1C1CCCC21)NCC(F)F
InChIInChI=1S/C14H22F2N2O/c15-13(16)6-18-14(19)7-17-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-13,17H,1-7H2,(H,18,19)
InChIKeyZHPGHYBTGZPEIB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.78
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide

N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide (PubChem CID 119050715) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide
PubChem CID119050715
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide
SMILESO=C(CNC1CC2CC1C1CCCC21)NCC(F)F
InChIInChI=1S/C14H22F2N2O/c15-13(16)6-18-14(19)7-17-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-13,17H,1-7H2,(H,18,19)
InChIKeyZHPGHYBTGZPEIB-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide (CID 119050715) is N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide is O=C(CNC1CC2CC1C1CCCC21)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide?
The InChIKey is ZHPGHYBTGZPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c15-13(16)6-18-14(19)7-17-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-13,17H,1-7H2,(H,18,19).
What are the key properties of N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide?
N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide has a molecular weight of 272.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetamide is sourced from PubChem (CID 119050715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).