(3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene

C11H17FO — CID 142367085

IUPAC(3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene
SMILESC=C/C=C\C(=C)CCOCC(C)F
InChIInChI=1S/C11H17FO/c1-4-5-6-10(2)7-8-13-9-11(3)12/h4-6,11H,1-2,7-9H2,3H3/b6-5-
InChIKeyDFEOORRCRZFMJB-WAYWQWQTSA-N
MW184.25 g/mol
LogP3.05
Rot. Bonds7

About (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene

(3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene (PubChem CID 142367085) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene
PubChem CID142367085
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene
SMILESC=C/C=C\C(=C)CCOCC(C)F
InChIInChI=1S/C11H17FO/c1-4-5-6-10(2)7-8-13-9-11(3)12/h4-6,11H,1-2,7-9H2,3H3/b6-5-
InChIKeyDFEOORRCRZFMJB-WAYWQWQTSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene?
The IUPAC name of (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene (CID 142367085) is (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene is C=C/C=C\C(=C)CCOCC(C)F.
What is the InChIKey of (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene?
The InChIKey is DFEOORRCRZFMJB-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17FO/c1-4-5-6-10(2)7-8-13-9-11(3)12/h4-6,11H,1-2,7-9H2,3H3/b6-5-.
What are the key properties of (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene?
(3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-(2-fluoropropoxy)-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 142367085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).