(Z)-1-azido-3-fluoroheptadec-2-en-4-ol

C17H32FN3O — CID 122225240

IUPAC(Z)-1-azido-3-fluoroheptadec-2-en-4-ol
SMILESCCCCCCCCCCCCCC(O)/C(F)=C/CN=[N+]=[N-]
InChIInChI=1S/C17H32FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16(18)14-15-20-21-19/h14,17,22H,2-13,15H2,1H3/b16-14-
InChIKeyUNZHUTLMLBHLAT-PEZBUJJGSA-N
MW313.46 g/mol
LogP6.21
Rot. Bonds15

About (Z)-1-azido-3-fluoroheptadec-2-en-4-ol

(Z)-1-azido-3-fluoroheptadec-2-en-4-ol (PubChem CID 122225240) has the molecular formula C17H32FN3O and a molecular weight of 313.46 g/mol. Its IUPAC name is (Z)-1-azido-3-fluoroheptadec-2-en-4-ol.

Molecular Properties

Compound Name(Z)-1-azido-3-fluoroheptadec-2-en-4-ol
PubChem CID122225240
Molecular FormulaC17H32FN3O
Molecular Weight313.46 g/mol
Exact Mass313.25
IUPAC Name(Z)-1-azido-3-fluoroheptadec-2-en-4-ol
SMILESCCCCCCCCCCCCCC(O)/C(F)=C/CN=[N+]=[N-]
InChIInChI=1S/C17H32FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16(18)14-15-20-21-19/h14,17,22H,2-13,15H2,1H3/b16-14-
InChIKeyUNZHUTLMLBHLAT-PEZBUJJGSA-N
XLogP6.21
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.46
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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1-azidohexadecane
CID 11230945
1-azidotriacontane
CID 71752669
1-azidohexan-2-ol
CID 11171039
(2R)-2-azidohexadecane
CID 174670947
(2S)-2-azidononane
CID 102115708
6,7-diazidododecane
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heptadecane;hypofluorous acid
CID 158426244
icosan-3-ol
CID 14940768
(2S,3S,4R)-2-azidodecane-1,3,4-triol
CID 90749727
2-azidooctadecane-1,3,4-triol
CID 14017259

Frequently Asked Questions

What is the IUPAC name of (Z)-1-azido-3-fluoroheptadec-2-en-4-ol?
The IUPAC name of (Z)-1-azido-3-fluoroheptadec-2-en-4-ol (CID 122225240) is (Z)-1-azido-3-fluoroheptadec-2-en-4-ol.
What is the SMILES notation for (Z)-1-azido-3-fluoroheptadec-2-en-4-ol?
The canonical SMILES for (Z)-1-azido-3-fluoroheptadec-2-en-4-ol is CCCCCCCCCCCCCC(O)/C(F)=C/CN=[N+]=[N-].
What is the InChIKey of (Z)-1-azido-3-fluoroheptadec-2-en-4-ol?
The InChIKey is UNZHUTLMLBHLAT-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H32FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16(18)14-15-20-21-19/h14,17,22H,2-13,15H2,1H3/b16-14-.
What are the key properties of (Z)-1-azido-3-fluoroheptadec-2-en-4-ol?
(Z)-1-azido-3-fluoroheptadec-2-en-4-ol has a molecular weight of 313.46 g/mol, XLogP of 6.21, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-azido-3-fluoroheptadec-2-en-4-ol is sourced from PubChem (CID 122225240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).