1-fluoro-8-prop-1-en-2-yloxyoctane

C11H21FO — CID 176669387

IUPAC1-fluoro-8-prop-1-en-2-yloxyoctane
SMILESC=C(C)OCCCCCCCCF
InChIInChI=1S/C11H21FO/c1-11(2)13-10-8-6-4-3-5-7-9-12/h1,3-10H2,2H3
InChIKeyREQZLLNFOBDLRM-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.85
Rot. Bonds9

About 1-fluoro-8-prop-1-en-2-yloxyoctane

1-fluoro-8-prop-1-en-2-yloxyoctane (PubChem CID 176669387) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-fluoro-8-prop-1-en-2-yloxyoctane.

Molecular Properties

Compound Name1-fluoro-8-prop-1-en-2-yloxyoctane
PubChem CID176669387
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name1-fluoro-8-prop-1-en-2-yloxyoctane
SMILESC=C(C)OCCCCCCCCF
InChIInChI=1S/C11H21FO/c1-11(2)13-10-8-6-4-3-5-7-9-12/h1,3-10H2,2H3
InChIKeyREQZLLNFOBDLRM-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1-[(E)-2-fluoroethenoxy]dodecane
CID 121408637
n-Octyloxyallene
CID 11052055
2-Ethoxynon-1-ene
CID 12385679
1-Prop-1-en-2-yloxyhexane
CID 20071898
Isopropenyl octadecyl ether
CID 22407739
1-[(Prop-1-en-2-yl)oxy]dodecane
CID 71365772
n-Octyl-pentaoxyethylene
CID 129682506
3-fluoro-2-[(E)-prop-1-enoxy]decane
CID 18972205
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-prop-1-en-2-yloxydecane
CID 53784079
3-Fluoro-2-prop-1-enoxydecane
CID 73473902
4-Ethoxy-4-fluorotridecane
CID 88174029
2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-bis(prop-1-en-2-yloxy)nonane
CID 138628062

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-8-prop-1-en-2-yloxyoctane?
The IUPAC name of 1-fluoro-8-prop-1-en-2-yloxyoctane (CID 176669387) is 1-fluoro-8-prop-1-en-2-yloxyoctane.
What is the SMILES notation for 1-fluoro-8-prop-1-en-2-yloxyoctane?
The canonical SMILES for 1-fluoro-8-prop-1-en-2-yloxyoctane is C=C(C)OCCCCCCCCF.
What is the InChIKey of 1-fluoro-8-prop-1-en-2-yloxyoctane?
The InChIKey is REQZLLNFOBDLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-11(2)13-10-8-6-4-3-5-7-9-12/h1,3-10H2,2H3.
What are the key properties of 1-fluoro-8-prop-1-en-2-yloxyoctane?
1-fluoro-8-prop-1-en-2-yloxyoctane has a molecular weight of 188.29 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8-prop-1-en-2-yloxyoctane is sourced from PubChem (CID 176669387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).