1-(2-fluoroethoxy)heptane

C9H19FO — CID 14625507

IUPAC1-(2-fluoroethoxy)heptane
SMILESCCCCCCCOCCF
InChIInChI=1S/C9H19FO/c1-2-3-4-5-6-8-11-9-7-10/h2-9H2,1H3
InChIKeyHYFQUGWIXYNQSY-UHFFFAOYSA-N
MW162.25 g/mol
LogP2.94
Rot. Bonds8

About 1-(2-fluoroethoxy)heptane

1-(2-fluoroethoxy)heptane (PubChem CID 14625507) has the molecular formula C9H19FO and a molecular weight of 162.25 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)heptane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)heptane
PubChem CID14625507
Molecular FormulaC9H19FO
Molecular Weight162.25 g/mol
Exact Mass162.14
IUPAC Name1-(2-fluoroethoxy)heptane
SMILESCCCCCCCOCCF
InChIInChI=1S/C9H19FO/c1-2-3-4-5-6-8-11-9-7-10/h2-9H2,1H3
InChIKeyHYFQUGWIXYNQSY-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethyl hexyl ether
CID 111843
Decane, 1-methoxy-
CID 23716
Heptane, 1,1'-oxybis-
CID 12392
Dihexyl ether
CID 8198
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
Hexane, 1-(pentyloxy)-
CID 36108
Butyl hexyl ether
CID 108598
Heptane, 1-ethoxy-
CID 519677
1-Ethoxyoctane
CID 94664
1-Ethoxydodecane
CID 96386
Decyl ethyl ether
CID 109644

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)heptane?
The IUPAC name of 1-(2-fluoroethoxy)heptane (CID 14625507) is 1-(2-fluoroethoxy)heptane.
What is the SMILES notation for 1-(2-fluoroethoxy)heptane?
The canonical SMILES for 1-(2-fluoroethoxy)heptane is CCCCCCCOCCF.
What is the InChIKey of 1-(2-fluoroethoxy)heptane?
The InChIKey is HYFQUGWIXYNQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO/c1-2-3-4-5-6-8-11-9-7-10/h2-9H2,1H3.
What are the key properties of 1-(2-fluoroethoxy)heptane?
1-(2-fluoroethoxy)heptane has a molecular weight of 162.25 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)heptane is sourced from PubChem (CID 14625507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).