2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 114147708

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCCC(O)C1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-16-10(18)6-15-5-8-2-1-3-9(17)4-8/h8-9,15,17H,1-7H2,(H,16,18)
InChIKeyMKYVHDZKZLAQME-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.81
Rot. Bonds5

About 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114147708) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114147708
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCCC(O)C1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-16-10(18)6-15-5-8-2-1-3-9(17)4-8/h8-9,15,17H,1-7H2,(H,16,18)
InChIKeyMKYVHDZKZLAQME-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 114147708) is 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1CCCC(O)C1)NCC(F)(F)F.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MKYVHDZKZLAQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)7-16-10(18)6-15-5-8-2-1-3-9(17)4-8/h8-9,15,17H,1-7H2,(H,16,18).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114147708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).