N-heptylcarbamoyl fluoride

C8H16FNO — CID 135303527

IUPACN-heptylcarbamoyl fluoride
SMILESCCCCCCCNC(=O)F
InChIInChI=1S/C8H16FNO/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H,10,11)
InChIKeySKEZOOLOUUBVHE-UHFFFAOYSA-N
MW161.22 g/mol
LogP2.64
Rot. Bonds6

About N-heptylcarbamoyl fluoride

N-heptylcarbamoyl fluoride (PubChem CID 135303527) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-heptylcarbamoyl fluoride.

Molecular Properties

Compound NameN-heptylcarbamoyl fluoride
PubChem CID135303527
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-heptylcarbamoyl fluoride
SMILESCCCCCCCNC(=O)F
InChIInChI=1S/C8H16FNO/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H,10,11)
InChIKeySKEZOOLOUUBVHE-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diheptyloxamide
CID 3417538
N-hexylacetamide
CID 24129
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-nonadecylacetamide
CID 54574805
1-butyl-3-octylurea
CID 17269600
N-pentadecylacetamide
CID 12009452
octylcarbamothioic S-acid
CID 25085683
1-propyl-3-tridecylurea
CID 10934987
N-nonylcarbamoyl chloride
CID 89287231
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
1-hexyl-3-hydroxyurea
CID 57210959

Frequently Asked Questions

What is the IUPAC name of N-heptylcarbamoyl fluoride?
The IUPAC name of N-heptylcarbamoyl fluoride (CID 135303527) is N-heptylcarbamoyl fluoride.
What is the SMILES notation for N-heptylcarbamoyl fluoride?
The canonical SMILES for N-heptylcarbamoyl fluoride is CCCCCCCNC(=O)F.
What is the InChIKey of N-heptylcarbamoyl fluoride?
The InChIKey is SKEZOOLOUUBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H,10,11).
What are the key properties of N-heptylcarbamoyl fluoride?
N-heptylcarbamoyl fluoride has a molecular weight of 161.22 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylcarbamoyl fluoride is sourced from PubChem (CID 135303527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).