N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H19F3N2O2 — CID 79039503

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-9(17)16-7-10(18)4-2-1-3-5-10/h15,18H,1-8H2,(H,16,17)
InChIKeyMRUCTZZVGGSMKC-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.95
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79039503) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79039503
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-9(17)16-7-10(18)4-2-1-3-5-10/h15,18H,1-8H2,(H,16,17)
InChIKeyMRUCTZZVGGSMKC-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 N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 79039503) is N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MRUCTZZVGGSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-9(17)16-7-10(18)4-2-1-3-5-10/h15,18H,1-8H2,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)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 N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79039503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).