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

C11H19F3N2O2 — CID 104696254

IUPAC2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CCCCC1CO)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-16-10(18)5-15-9-4-2-1-3-8(9)6-17/h8-9,15,17H,1-7H2,(H,16,18)
InChIKeyHNCNMVXSLJMHNS-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.81
Rot. Bonds5

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

2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 104696254) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID104696254
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CCCCC1CO)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-16-10(18)5-15-9-4-2-1-3-8(9)6-17/h8-9,15,17H,1-7H2,(H,16,18)
InChIKeyHNCNMVXSLJMHNS-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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Related Compounds

N-{(1r,2r)-2-(hydroxymethyl)cyclohexyl}acetamide
CID 129861309
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55087126
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 60690406
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62521710
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62552024
2-[(2-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64912624
2-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65904955
2-[[2-(hydroxymethyl)cyclopentyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65926878
N-[(2-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79002516
N-[1-(hydroxymethyl)cyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260489
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260574
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260661

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 104696254) is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1CCCCC1CO)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HNCNMVXSLJMHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)7-16-10(18)5-15-9-4-2-1-3-8(9)6-17/h8-9,15,17H,1-7H2,(H,16,18).
What are the key properties of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-(hydroxymethyl)cyclohexyl]amino]-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-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 104696254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).