N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide

C10H16FNO — CID 12765163

IUPACN-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCC(=O)NC12CCC(F)(CC1)CC2
InChIInChI=1S/C10H16FNO/c1-8(13)12-10-5-2-9(11,3-6-10)4-7-10/h2-7H2,1H3,(H,12,13)
InChIKeyLAPGIPATGSLSEL-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.94
Rot. Bonds1

About N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide

N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide (PubChem CID 12765163) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide
PubChem CID12765163
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide
SMILESCC(=O)NC12CCC(F)(CC1)CC2
InChIInChI=1S/C10H16FNO/c1-8(13)12-10-5-2-9(11,3-6-10)4-7-10/h2-7H2,1H3,(H,12,13)
InChIKeyLAPGIPATGSLSEL-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluoro-1-adamantyl)acetamide
CID 21634595
N-(4-propylbicyclo[2.2.2]oct-1-yl)acetamide
CID 775434
N-(4-fluoro-1-adamantyl)acetamide
CID 58192799
N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]acetamide
CID 128125996
3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 146393507
molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
CID 153404877
N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide
CID 167333833
N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-sulfanylacetamide
CID 169597259
2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane
CID 176716844
N-(1-methyl-4-bicyclo[2.2.2]octanyl)acetamide
CID 537645
N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide
CID 102366665
N-(1-bicyclo[2.2.2]octanyl)-2,2-difluorocyclopropane-1-carboxamide
CID 128646181

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide?
The IUPAC name of N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide (CID 12765163) is N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide.
What is the SMILES notation for N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide?
The canonical SMILES for N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide is CC(=O)NC12CCC(F)(CC1)CC2.
What is the InChIKey of N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide?
The InChIKey is LAPGIPATGSLSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8(13)12-10-5-2-9(11,3-6-10)4-7-10/h2-7H2,1H3,(H,12,13).
What are the key properties of N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide?
N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide has a molecular weight of 185.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide is sourced from PubChem (CID 12765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).