2-[(4,4-difluorocyclohexyl)-methylamino]acetamide

C9H16F2N2O — CID 126787710

IUPAC2-[(4,4-difluorocyclohexyl)-methylamino]acetamide
SMILESCN(CC(N)=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-13(6-8(12)14)7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H2,12,14)
InChIKeyWJQPZZCQQONDPY-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.98
Rot. Bonds3

About 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide

2-[(4,4-difluorocyclohexyl)-methylamino]acetamide (PubChem CID 126787710) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)-methylamino]acetamide
PubChem CID126787710
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-[(4,4-difluorocyclohexyl)-methylamino]acetamide
SMILESCN(CC(N)=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-13(6-8(12)14)7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H2,12,14)
InChIKeyWJQPZZCQQONDPY-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide (CID 126787710) is 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide is CN(CC(N)=O)C1CCC(F)(F)CC1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide?
The InChIKey is WJQPZZCQQONDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-13(6-8(12)14)7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H2,12,14).
What are the key properties of 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide?
2-[(4,4-difluorocyclohexyl)-methylamino]acetamide has a molecular weight of 206.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)-methylamino]acetamide is sourced from PubChem (CID 126787710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).