(2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol

C8H13FO — CID 137398670

IUPAC(2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol
SMILESCC/C(C)=C/C(F)=C(\C)O
InChIInChI=1S/C8H13FO/c1-4-6(2)5-8(9)7(3)10/h5,10H,4H2,1-3H3/b6-5+,8-7-
InChIKeyRUOVQDIIDPKEPP-MDAAKZFYSA-N
MW144.19 g/mol
LogP3.10
Rot. Bonds2

About (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol

(2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol (PubChem CID 137398670) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol
PubChem CID137398670
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol
SMILESCC/C(C)=C/C(F)=C(\C)O
InChIInChI=1S/C8H13FO/c1-4-6(2)5-8(9)7(3)10/h5,10H,4H2,1-3H3/b6-5+,8-7-
InChIKeyRUOVQDIIDPKEPP-MDAAKZFYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol?
The IUPAC name of (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol (CID 137398670) is (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol.
What is the SMILES notation for (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol?
The canonical SMILES for (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol is CC/C(C)=C/C(F)=C(\C)O.
What is the InChIKey of (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol?
The InChIKey is RUOVQDIIDPKEPP-MDAAKZFYSA-N. The full InChI is InChI=1S/C8H13FO/c1-4-6(2)5-8(9)7(3)10/h5,10H,4H2,1-3H3/b6-5+,8-7-.
What are the key properties of (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol?
(2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol has a molecular weight of 144.19 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-fluoro-5-methylhepta-2,4-dien-2-ol is sourced from PubChem (CID 137398670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).