1-(2-fluoroethoxy)-4-methylpentane

C8H17FO — CID 87069267

IUPAC1-(2-fluoroethoxy)-4-methylpentane
SMILESCC(C)CCCOCCF
InChIInChI=1S/C8H17FO/c1-8(2)4-3-6-10-7-5-9/h8H,3-7H2,1-2H3
InChIKeyWPBQIZKHSPAOKH-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.41
Rot. Bonds6

About 1-(2-fluoroethoxy)-4-methylpentane

1-(2-fluoroethoxy)-4-methylpentane (PubChem CID 87069267) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-4-methylpentane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-4-methylpentane
PubChem CID87069267
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name1-(2-fluoroethoxy)-4-methylpentane
SMILESCC(C)CCCOCCF
InChIInChI=1S/C8H17FO/c1-8(2)4-3-6-10-7-5-9/h8H,3-7H2,1-2H3
InChIKeyWPBQIZKHSPAOKH-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.41
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

2-Methylpropyl pentyl ether
CID 18988496
Iso-pentoxypentane
CID 20082127
1-(2-Methylbut-oxy)-pentane
CID 54075160
Di(3-methylpentyl) ether
CID 57311152
1,3-Difluoro-2-(3-fluorobutoxymethyl)butane
CID 18335869
1-Butoxy-3-fluoropentane
CID 20651927
4-Butoxy-1-fluoro-2-methylbutane
CID 20651931
1-Butoxy-3-fluoro-2-methylpropane
CID 22002861
1-(3-Fluoro-2-methylpropoxy)hexane
CID 22002867
1,1,1-Trifluoro-5-(2-methylbutoxy)pentane
CID 53640605
3-Fluoro-2-methyl-4-propan-2-yloxypentane
CID 58192505
1-(1,1-Difluoro-2-methylpropoxy)-4-methylpentane
CID 58422609

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)-4-methylpentane?
The IUPAC name of 1-(2-fluoroethoxy)-4-methylpentane (CID 87069267) is 1-(2-fluoroethoxy)-4-methylpentane.
What is the SMILES notation for 1-(2-fluoroethoxy)-4-methylpentane?
The canonical SMILES for 1-(2-fluoroethoxy)-4-methylpentane is CC(C)CCCOCCF.
What is the InChIKey of 1-(2-fluoroethoxy)-4-methylpentane?
The InChIKey is WPBQIZKHSPAOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-8(2)4-3-6-10-7-5-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethoxy)-4-methylpentane?
1-(2-fluoroethoxy)-4-methylpentane has a molecular weight of 148.22 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-4-methylpentane is sourced from PubChem (CID 87069267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).