(3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene

C9H13F — CID 88590002

IUPAC(3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene
SMILESC=C/C(=C\C=C/CF)CC
InChIInChI=1S/C9H13F/c1-3-9(4-2)7-5-6-8-10/h3,5-7H,1,4,8H2,2H3/b6-5-,9-7+
InChIKeyNQQFVNAQJOLRLP-BZWSEGBZSA-N
MW140.20 g/mol
LogP3.03
Rot. Bonds4

About (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene

(3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene (PubChem CID 88590002) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene
PubChem CID88590002
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene
SMILESC=C/C(=C\C=C/CF)CC
InChIInChI=1S/C9H13F/c1-3-9(4-2)7-5-6-8-10/h3,5-7H,1,4,8H2,2H3/b6-5-,9-7+
InChIKeyNQQFVNAQJOLRLP-BZWSEGBZSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene (CID 88590002) is (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene is C=C/C(=C\C=C/CF)CC.
What is the InChIKey of (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene?
The InChIKey is NQQFVNAQJOLRLP-BZWSEGBZSA-N. The full InChI is InChI=1S/C9H13F/c1-3-9(4-2)7-5-6-8-10/h3,5-7H,1,4,8H2,2H3/b6-5-,9-7+.
What are the key properties of (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene?
(3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene has a molecular weight of 140.20 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene is sourced from PubChem (CID 88590002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).