1-fluoro-14-isocyanatotetradecane

C15H28FNO — CID 171060665

IUPAC1-fluoro-14-isocyanatotetradecane
SMILESO=C=NCCCCCCCCCCCCCCF
InChIInChI=1S/C15H28FNO/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15-18/h1-14H2
InChIKeyDOVLSOBSBVJWMI-UHFFFAOYSA-N
MW257.39 g/mol
LogP4.97
Rot. Bonds14

About 1-fluoro-14-isocyanatotetradecane

1-fluoro-14-isocyanatotetradecane (PubChem CID 171060665) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 1-fluoro-14-isocyanatotetradecane.

Molecular Properties

Compound Name1-fluoro-14-isocyanatotetradecane
PubChem CID171060665
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name1-fluoro-14-isocyanatotetradecane
SMILESO=C=NCCCCCCCCCCCCCCF
InChIInChI=1S/C15H28FNO/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15-18/h1-14H2
InChIKeyDOVLSOBSBVJWMI-UHFFFAOYSA-N
XLogP4.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-14-isocyanatotetradecane?
The IUPAC name of 1-fluoro-14-isocyanatotetradecane (CID 171060665) is 1-fluoro-14-isocyanatotetradecane.
What is the SMILES notation for 1-fluoro-14-isocyanatotetradecane?
The canonical SMILES for 1-fluoro-14-isocyanatotetradecane is O=C=NCCCCCCCCCCCCCCF.
What is the InChIKey of 1-fluoro-14-isocyanatotetradecane?
The InChIKey is DOVLSOBSBVJWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15-18/h1-14H2.
What are the key properties of 1-fluoro-14-isocyanatotetradecane?
1-fluoro-14-isocyanatotetradecane has a molecular weight of 257.39 g/mol, XLogP of 4.97, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-14-isocyanatotetradecane is sourced from PubChem (CID 171060665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).