(3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol

C10H13FO — CID 143908507

IUPAC(3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol
SMILESC=CCCC(=C)/C(F)=C\C(=C)O
InChIInChI=1S/C10H13FO/c1-4-5-6-8(2)10(11)7-9(3)12/h4,7,12H,1-3,5-6H2/b10-7+
InChIKeyYPXYCBMAHZEHFZ-JXMROGBWSA-N
MW168.21 g/mol
LogP3.43
Rot. Bonds5

About (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol

(3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol (PubChem CID 143908507) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol.

Molecular Properties

Compound Name(3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol
PubChem CID143908507
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol
SMILESC=CCCC(=C)/C(F)=C\C(=C)O
InChIInChI=1S/C10H13FO/c1-4-5-6-8(2)10(11)7-9(3)12/h4,7,12H,1-3,5-6H2/b10-7+
InChIKeyYPXYCBMAHZEHFZ-JXMROGBWSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol?
The IUPAC name of (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol (CID 143908507) is (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol.
What is the SMILES notation for (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol?
The canonical SMILES for (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol is C=CCCC(=C)/C(F)=C\C(=C)O.
What is the InChIKey of (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol?
The InChIKey is YPXYCBMAHZEHFZ-JXMROGBWSA-N. The full InChI is InChI=1S/C10H13FO/c1-4-5-6-8(2)10(11)7-9(3)12/h4,7,12H,1-3,5-6H2/b10-7+.
What are the key properties of (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol?
(3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol has a molecular weight of 168.21 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol is sourced from PubChem (CID 143908507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).