2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 62521710

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1(CO)CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-15-9(18)6-16-10(8-17)4-2-1-3-5-10/h16-17H,1-8H2,(H,15,18)
InChIKeyINUUGHGRXCTLMX-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.95
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62521710) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62521710
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1(CO)CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-15-9(18)6-16-10(8-17)4-2-1-3-5-10/h16-17H,1-8H2,(H,15,18)
InChIKeyINUUGHGRXCTLMX-UHFFFAOYSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62521710) is 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1(CO)CCCCC1)NCC(F)(F)F.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is INUUGHGRXCTLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)7-15-9(18)6-16-10(8-17)4-2-1-3-5-10/h16-17H,1-8H2,(H,15,18).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62521710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).