N-(1-adamantyl)-N-fluoroacetamide

C12H18FNO — CID 154140531

IUPACN-(1-adamantyl)-N-fluoroacetamide
SMILESCC(=O)N(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H18FNO/c1-8(15)14(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChIKeyYGTWGCMYXLWDHD-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.69
Rot. Bonds1

About N-(1-adamantyl)-N-fluoroacetamide

N-(1-adamantyl)-N-fluoroacetamide (PubChem CID 154140531) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(1-adamantyl)-N-fluoroacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-fluoroacetamide
PubChem CID154140531
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-(1-adamantyl)-N-fluoroacetamide
SMILESCC(=O)N(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H18FNO/c1-8(15)14(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChIKeyYGTWGCMYXLWDHD-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide
CID 82104197
(2R)-2-[acetyl(1-adamantyl)amino]-3-sulfanylpropanoic acid
CID 87754326
1-(1-adamantyl)propan-2-one;methane
CID 157057031
N-(1-adamantyl)-N-ethyl-2-methylprop-2-enamide
CID 23534003
acetic acid;1-chloroadamantane
CID 175013443
acetic acid;adamantane-1-carboxylic acid
CID 67530595
2-[1-adamantyl(hydroxy)amino]acetic acid
CID 87257505
1-(1-adamantyl)-2-fluoroethanone
CID 4015721
acetic acid;1-tert-butyladamantane
CID 66772325
3-(1-adamantyl)-2-methylprop-2-enoyl fluoride
CID 173012408
(3-fluoro-1-adamantyl)-methylcarbamic acid
CID 57371772
1-adamantylmethyl 2-fluoro-2-methylpropanoate
CID 59602420

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-fluoroacetamide?
The IUPAC name of N-(1-adamantyl)-N-fluoroacetamide (CID 154140531) is N-(1-adamantyl)-N-fluoroacetamide.
What is the SMILES notation for N-(1-adamantyl)-N-fluoroacetamide?
The canonical SMILES for N-(1-adamantyl)-N-fluoroacetamide is CC(=O)N(F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-fluoroacetamide?
The InChIKey is YGTWGCMYXLWDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(15)14(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3.
What are the key properties of N-(1-adamantyl)-N-fluoroacetamide?
N-(1-adamantyl)-N-fluoroacetamide has a molecular weight of 211.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-fluoroacetamide is sourced from PubChem (CID 154140531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).