N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide

C14H26F3NO — CID 177484696

IUPACN-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
SMILESCCCCCCCCCCCCNC(=O)C(F)(F)[18F]
InChIInChI=1S/C14H26F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19)/i15-1
InChIKeyGDHYSHGLRHWHDX-HUYCHCPVSA-N
MW280.36 g/mol
LogP4.59
Rot. Bonds11

About N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide

N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide (PubChem CID 177484696) has the molecular formula C14H26F3NO and a molecular weight of 280.36 g/mol. Its IUPAC name is N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
PubChem CID177484696
Molecular FormulaC14H26F3NO
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC NameN-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
SMILESCCCCCCCCCCCCNC(=O)C(F)(F)[18F]
InChIInChI=1S/C14H26F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19)/i15-1
InChIKeyGDHYSHGLRHWHDX-HUYCHCPVSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-diheptylheptanediamide
CID 5227382
N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2,2,2-trifluoro-N-[(E)-8-oxooctadec-9-enyl]acetamide
CID 24800898
2,2,2-trifluoro-N-[(E)-11-oxooctadec-9-enyl]acetamide
CID 24801594
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
3,3-dimethyl-N-octyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 172907302

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide?
The IUPAC name of N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide (CID 177484696) is N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide.
What is the SMILES notation for N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide?
The canonical SMILES for N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide is CCCCCCCCCCCCNC(=O)C(F)(F)[18F].
What is the InChIKey of N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide?
The InChIKey is GDHYSHGLRHWHDX-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19)14(15,16)17/h2-12H2,1H3,(H,18,19)/i15-1.
What are the key properties of N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide?
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide has a molecular weight of 280.36 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide is sourced from PubChem (CID 177484696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).