(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol

C14H22FNO — CID 153070584

IUPAC(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol
SMILESC=C/C=C\C=C\CN(C)CC/C(C)=C(/F)CO
InChIInChI=1S/C14H22FNO/c1-4-5-6-7-8-10-16(3)11-9-13(2)14(15)12-17/h4-8,17H,1,9-12H2,2-3H3/b6-5-,8-7+,14-13+
InChIKeyVLGUFIUTVYSRQT-NBUAZSIDSA-N
MW239.33 g/mol
LogP2.84
Rot. Bonds8

About (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol

(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol (PubChem CID 153070584) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol
PubChem CID153070584
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol
SMILESC=C/C=C\C=C\CN(C)CC/C(C)=C(/F)CO
InChIInChI=1S/C14H22FNO/c1-4-5-6-7-8-10-16(3)11-9-13(2)14(15)12-17/h4-8,17H,1,9-12H2,2-3H3/b6-5-,8-7+,14-13+
InChIKeyVLGUFIUTVYSRQT-NBUAZSIDSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol (CID 153070584) is (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol is C=C/C=C\C=C\CN(C)CC/C(C)=C(/F)CO.
What is the InChIKey of (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol?
The InChIKey is VLGUFIUTVYSRQT-NBUAZSIDSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-6-7-8-10-16(3)11-9-13(2)14(15)12-17/h4-8,17H,1,9-12H2,2-3H3/b6-5-,8-7+,14-13+.
What are the key properties of (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol?
(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol is sourced from PubChem (CID 153070584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).