2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide

C9H14F3NO2 — CID 103690636

IUPAC2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(NCC1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(15)13-5-6-2-1-3-7(14)4-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyILZJIIPNUVRUTI-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.22
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide

2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide (PubChem CID 103690636) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide
PubChem CID103690636
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(NCC1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(15)13-5-6-2-1-3-7(14)4-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyILZJIIPNUVRUTI-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide
CID 126795290
2,2,2-trifluoro-N-[2-(2-hydroxycyclopentyl)ethyl]acetamide
CID 134293377
2,2,2-trifluoro-N-[2-[4-(2-hydroxyethyl)cyclohexyl]ethyl]acetamide
CID 154630327
2,2,2-trifluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64910689
3,3,3-trifluoro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929865
4,4,4-trifluoro-N-[(2-hydroxycyclohexyl)methyl]butanamide
CID 65711374
2,2,2-trifluoro-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65833844
3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 65903932
2,2,2-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 65904911
N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]-2,2,2-trifluoroacetamide
CID 101197525
3,3,3-trifluoro-N-[(2-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide
CID 103310181
2,2-difluoro-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 103513928

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide (CID 103690636) is 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide is O=C(NCC1CCCC(O)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is ILZJIIPNUVRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)8(15)13-5-6-2-1-3-7(14)4-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 103690636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).