N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H16F3NO3 — CID 104927390

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-17-5-9(16)14-7-3-1-2-4-8(7)15/h7-8,15H,1-6H2,(H,14,16)/t7-,8-/m1/s1
InChIKeyYXMUNYQIPYVIFC-HTQZYQBOSA-N
MW255.24 g/mol
LogP0.99
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 104927390) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID104927390
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-17-5-9(16)14-7-3-1-2-4-8(7)15/h7-8,15H,1-6H2,(H,14,16)/t7-,8-/m1/s1
InChIKeyYXMUNYQIPYVIFC-HTQZYQBOSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
CID 121525692
N-cyclohexyl-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 170085364
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxycyclohexyl)butanamide
CID 3731946
2,2,3,3,4,4,4-heptafluoro-N-[(1R,2S)-2-hydroxycyclohexyl]butanamide
CID 40538954
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 40538958
2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 40538963
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexan-1-ol
CID 62360223
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 62366648
3,3,3-trifluoro-N-(2-hydroxycyclohexyl)propanamide
CID 62366806
2-(4-aminocyclohexyl)oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 62807944

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 104927390) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YXMUNYQIPYVIFC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)6-17-5-9(16)14-7-3-1-2-4-8(7)15/h7-8,15H,1-6H2,(H,14,16)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 255.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 104927390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).