1-ethoxy-3-fluoro-3-methylpentane

C8H17FO — CID 88901302

IUPAC1-ethoxy-3-fluoro-3-methylpentane
SMILESCCOCCC(C)(F)CC
InChIInChI=1S/C8H17FO/c1-4-8(3,9)6-7-10-5-2/h4-7H2,1-3H3
InChIKeyDZHKFVOKYZUOMB-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.55
Rot. Bonds5

About 1-ethoxy-3-fluoro-3-methylpentane

1-ethoxy-3-fluoro-3-methylpentane (PubChem CID 88901302) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 1-ethoxy-3-fluoro-3-methylpentane.

Molecular Properties

Compound Name1-ethoxy-3-fluoro-3-methylpentane
PubChem CID88901302
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name1-ethoxy-3-fluoro-3-methylpentane
SMILESCCOCCC(C)(F)CC
InChIInChI=1S/C8H17FO/c1-4-8(3,9)6-7-10-5-2/h4-7H2,1-3H3
InChIKeyDZHKFVOKYZUOMB-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.55
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

Iso-pentoxypentane
CID 20082127
(2-Ethyl-1-butyl) ether
CID 524831
1-(2-Methylbut-oxy)-pentane
CID 54075160
Di(3-methylpentyl) ether
CID 57311152
1-Butoxy-3-fluoropentane
CID 20651927
4-Butoxy-1-fluoro-2-methylbutane
CID 20651931
1,1,1-Trifluoro-5-(2-methylbutoxy)pentane
CID 53640605
4-Fluoro-1-propoxypentane
CID 58862898
3-Ethyl-3-fluorooxolane
CID 59060264
3-(2-Fluoroethoxymethyl)pentane
CID 60007845
4-Fluoro-4-methyloxane
CID 67077799
4-Ethyl-4-fluorooxane
CID 68202594

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-fluoro-3-methylpentane?
The IUPAC name of 1-ethoxy-3-fluoro-3-methylpentane (CID 88901302) is 1-ethoxy-3-fluoro-3-methylpentane.
What is the SMILES notation for 1-ethoxy-3-fluoro-3-methylpentane?
The canonical SMILES for 1-ethoxy-3-fluoro-3-methylpentane is CCOCCC(C)(F)CC.
What is the InChIKey of 1-ethoxy-3-fluoro-3-methylpentane?
The InChIKey is DZHKFVOKYZUOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-4-8(3,9)6-7-10-5-2/h4-7H2,1-3H3.
What are the key properties of 1-ethoxy-3-fluoro-3-methylpentane?
1-ethoxy-3-fluoro-3-methylpentane has a molecular weight of 148.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-fluoro-3-methylpentane is sourced from PubChem (CID 88901302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).