2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C12H22F2N2O2 — CID 106176924

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESNCC1(CC(=O)NCC(F)(F)CO)CCCCC1
InChIInChI=1S/C12H22F2N2O2/c13-12(14,9-17)8-16-10(18)6-11(7-15)4-2-1-3-5-11/h17H,1-9,15H2,(H,16,18)
InChIKeyWUCOCLNVMYJYAQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.03
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 106176924) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID106176924
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESNCC1(CC(=O)NCC(F)(F)CO)CCCCC1
InChIInChI=1S/C12H22F2N2O2/c13-12(14,9-17)8-16-10(18)6-11(7-15)4-2-1-3-5-11/h17H,1-9,15H2,(H,16,18)
InChIKeyWUCOCLNVMYJYAQ-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 106176924) is 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide is NCC1(CC(=O)NCC(F)(F)CO)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is WUCOCLNVMYJYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c13-12(14,9-17)8-16-10(18)6-11(7-15)4-2-1-3-5-11/h17H,1-9,15H2,(H,16,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 106176924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).