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

C11H18F3NO3 — CID 111485726

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-18-6-9(16)15-7-10(17)4-2-1-3-5-10/h17H,1-8H2,(H,15,16)
InChIKeySVJKNCOVJWMQHW-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.38
Rot. Bonds5

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

N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 111485726) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID111485726
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-18-6-9(16)15-7-10(17)4-2-1-3-5-10/h17H,1-8H2,(H,15,16)
InChIKeySVJKNCOVJWMQHW-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyloxy-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 95986959
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 61518643
2-[(1-aminocyclohexyl)methoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 64572072
2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65050555
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65051054
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052250
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052552
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052679
2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65110343
N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65113464
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113661
4,4,4-trifluoro-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 65711381

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 111485726) is N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SVJKNCOVJWMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)8-18-6-9(16)15-7-10(17)4-2-1-3-5-10/h17H,1-8H2,(H,15,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 111485726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).