4-fluoro-2-(2-methoxyethoxy)hex-1-ene

C9H17FO2 — CID 170117942

IUPAC4-fluoro-2-(2-methoxyethoxy)hex-1-ene
SMILESC=C(CC(F)CC)OCCOC
InChIInChI=1S/C9H17FO2/c1-4-9(10)7-8(2)12-6-5-11-3/h9H,2,4-7H2,1,3H3
InChIKeyTXNXXOJZWKZASF-UHFFFAOYSA-N
MW176.23 g/mol
LogP2.30
Rot. Bonds7

About 4-fluoro-2-(2-methoxyethoxy)hex-1-ene

4-fluoro-2-(2-methoxyethoxy)hex-1-ene (PubChem CID 170117942) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxyethoxy)hex-1-ene.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxyethoxy)hex-1-ene
PubChem CID170117942
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name4-fluoro-2-(2-methoxyethoxy)hex-1-ene
SMILESC=C(CC(F)CC)OCCOC
InChIInChI=1S/C9H17FO2/c1-4-9(10)7-8(2)12-6-5-11-3/h9H,2,4-7H2,1,3H3
InChIKeyTXNXXOJZWKZASF-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxyethoxy)hex-1-ene?
The IUPAC name of 4-fluoro-2-(2-methoxyethoxy)hex-1-ene (CID 170117942) is 4-fluoro-2-(2-methoxyethoxy)hex-1-ene.
What is the SMILES notation for 4-fluoro-2-(2-methoxyethoxy)hex-1-ene?
The canonical SMILES for 4-fluoro-2-(2-methoxyethoxy)hex-1-ene is C=C(CC(F)CC)OCCOC.
What is the InChIKey of 4-fluoro-2-(2-methoxyethoxy)hex-1-ene?
The InChIKey is TXNXXOJZWKZASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-4-9(10)7-8(2)12-6-5-11-3/h9H,2,4-7H2,1,3H3.
What are the key properties of 4-fluoro-2-(2-methoxyethoxy)hex-1-ene?
4-fluoro-2-(2-methoxyethoxy)hex-1-ene has a molecular weight of 176.23 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxyethoxy)hex-1-ene is sourced from PubChem (CID 170117942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).