N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide

C10H16F3NO3 — CID 155484151

IUPACN-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1(O)CCCCC1O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(16)14-6-5-9(17)4-2-1-3-7(9)15/h7,15,17H,1-6H2,(H,14,16)
InChIKeyOAVZTATWVLWREK-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.72
Rot. Bonds3

About N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 155484151) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID155484151
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1(O)CCCCC1O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(16)14-6-5-9(17)4-2-1-3-7(9)15/h7,15,17H,1-6H2,(H,14,16)
InChIKeyOAVZTATWVLWREK-UHFFFAOYSA-N
XLogP0.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide (CID 155484151) is N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCC1(O)CCCCC1O)C(F)(F)F.
What is the InChIKey of N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is OAVZTATWVLWREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)8(16)14-6-5-9(17)4-2-1-3-7(9)15/h7,15,17H,1-6H2,(H,14,16).
What are the key properties of N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 255.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 155484151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).