N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide

C9H16FNO2 — CID 131019151

IUPACN-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCC1(F)CCCCC1
InChIInChI=1S/C9H16FNO2/c10-9(4-2-1-3-5-9)7-11-8(13)6-12/h12H,1-7H2,(H,11,13)
InChIKeyILNNINLEZHUMCF-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.77
Rot. Bonds3

About N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide

N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide (PubChem CID 131019151) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide
PubChem CID131019151
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCC1(F)CCCCC1
InChIInChI=1S/C9H16FNO2/c10-9(4-2-1-3-5-9)7-11-8(13)6-12/h12H,1-7H2,(H,11,13)
InChIKeyILNNINLEZHUMCF-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 164636584
N-[(2,2-difluorocyclohexyl)methyl]-2-hydroxyacetamide
CID 126793880
N-[(1R,2R)-2-fluorocyclohexyl]-2-hydroxyacetamide
CID 126793968
2-hydroxy-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 126794181
N-[(1-fluorocyclopentyl)methyl]-2-hydroxyacetamide
CID 126996437
(2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide
CID 131159955
N-(cyclohexylmethyl)-2-hydroxyacetamide
CID 16769699
2-hydroxy-N-(4-methylcyclohexyl)acetamide
CID 43558878
2-hydroxy-N-[[1-[[(2-hydroxyacetyl)amino]methyl]cyclohexyl]methyl]acetamide
CID 57168258
N-(cyclohexylmethyl)-2-hydroxypropanamide;yttrium
CID 59781173
(2S)-3-amino-N-(cyclohexylmethyl)-2-hydroxypropanamide
CID 70410850
N-(2-Ethylhexyl)lactamide
CID 86761225

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide?
The IUPAC name of N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide (CID 131019151) is N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide is O=C(CO)NCC1(F)CCCCC1.
What is the InChIKey of N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide?
The InChIKey is ILNNINLEZHUMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-9(4-2-1-3-5-9)7-11-8(13)6-12/h12H,1-7H2,(H,11,13).
What are the key properties of N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide?
N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide has a molecular weight of 189.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclohexyl)methyl]-2-hydroxyacetamide is sourced from PubChem (CID 131019151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).