6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol

C12H24FNO — CID 143707503

IUPAC6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol
SMILESC/C(F)=C/CCCNCCCCCCO
InChIInChI=1S/C12H24FNO/c1-12(13)8-4-6-10-14-9-5-2-3-7-11-15/h8,14-15H,2-7,9-11H2,1H3/b12-8-
InChIKeyVDUQALGIKXJEDO-WQLSENKSSA-N
MW217.33 g/mol
LogP2.78
Rot. Bonds10

About 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol

6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol (PubChem CID 143707503) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol
PubChem CID143707503
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol
SMILESC/C(F)=C/CCCNCCCCCCO
InChIInChI=1S/C12H24FNO/c1-12(13)8-4-6-10-14-9-5-2-3-7-11-15/h8,14-15H,2-7,9-11H2,1H3/b12-8-
InChIKeyVDUQALGIKXJEDO-WQLSENKSSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol?
The IUPAC name of 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol (CID 143707503) is 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol is C/C(F)=C/CCCNCCCCCCO.
What is the InChIKey of 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol?
The InChIKey is VDUQALGIKXJEDO-WQLSENKSSA-N. The full InChI is InChI=1S/C12H24FNO/c1-12(13)8-4-6-10-14-9-5-2-3-7-11-15/h8,14-15H,2-7,9-11H2,1H3/b12-8-.
What are the key properties of 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol?
6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol is sourced from PubChem (CID 143707503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).