N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O2 — CID 78958437

IUPACN-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-14-5-9(17)15-7-1-3-8(16)4-2-7/h7-8,14,16H,1-6H2,(H,15,17)
InChIKeySQYCYLBJOBPWPJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.56
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958437) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958437
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-14-5-9(17)15-7-1-3-8(16)4-2-7/h7-8,14,16H,1-6H2,(H,15,17)
InChIKeySQYCYLBJOBPWPJ-UHFFFAOYSA-N
XLogP0.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
rac-2-(methylamino)-N-((1r,4r)-4-hydroxycyclohexyl)acetamide hydrochloride
CID 45791678
2-amino-N-(4-hydroxycyclohexyl)acetamide hydrochloride
CID 45791955
2,2,3,3,3-Pentafluoro-N-[trans-4-hydroxycyclohexyl]propanamide
CID 91697597
2,2,3,3,4,4,4-Heptafluoro-N-[trans-4-hydroxycyclohexyl]butanamide
CID 91697599
2-amino-N-(4-hydroxycyclohexyl)acetamide
CID 14798998
1-(4-Hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 67084879
2-fluoro-N-(4-hydroxycyclohexyl)acetamide
CID 69109487
N-(4-hydroxycyclohexyl)-2-(methylamino)acetamide
CID 24692983
3,3,3-trifluoro-N-(4-hydroxycyclohexyl)propanamide
CID 43417251
2-[(2-hydroxycyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55063758
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 60684895

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958437) is N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is SQYCYLBJOBPWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)6-14-5-9(17)15-7-1-3-8(16)4-2-7/h7-8,14,16H,1-6H2,(H,15,17).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).