1-butoxy-3-fluorobutane

C8H17FO — CID 20649604

IUPAC1-butoxy-3-fluorobutane
SMILESCCCCOCCC(C)F
InChIInChI=1S/C8H17FO/c1-3-4-6-10-7-5-8(2)9/h8H,3-7H2,1-2H3
InChIKeyJCIZHCNNOHKNNE-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.55
Rot. Bonds6

About 1-butoxy-3-fluorobutane

1-butoxy-3-fluorobutane (PubChem CID 20649604) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 1-butoxy-3-fluorobutane.

Molecular Properties

Compound Name1-butoxy-3-fluorobutane
PubChem CID20649604
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name1-butoxy-3-fluorobutane
SMILESCCCCOCCC(C)F
InChIInChI=1S/C8H17FO/c1-3-4-6-10-7-5-8(2)9/h8H,3-7H2,1-2H3
InChIKeyJCIZHCNNOHKNNE-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

Butyl ether
CID 8909
Hydrofluoric acid, compd. with 1,1'-oxybis(butane) (2:1)
CID 173019
1-Propoxybutane
CID 137814
Ether, butyl 2-(beta-fluoroethoxy)ethyl
CID 11630
Ether, bis(4-fluorobutyl)
CID 11632
Fluorobutyl methyl ether
CID 20582799
2-Fluoro-1-methoxybutane
CID 12700781
1-(2-Fluoropropoxy)butane
CID 15062442
1-Butoxy-2,2-difluorobutane
CID 15062445
1-Butoxy-2-fluorobutane
CID 15062446
gamma'-Difluorodibutyl ether
CID 129878663
1-Butoxybutane;titanium
CID 87837537

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-fluorobutane?
The IUPAC name of 1-butoxy-3-fluorobutane (CID 20649604) is 1-butoxy-3-fluorobutane.
What is the SMILES notation for 1-butoxy-3-fluorobutane?
The canonical SMILES for 1-butoxy-3-fluorobutane is CCCCOCCC(C)F.
What is the InChIKey of 1-butoxy-3-fluorobutane?
The InChIKey is JCIZHCNNOHKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-3-4-6-10-7-5-8(2)9/h8H,3-7H2,1-2H3.
What are the key properties of 1-butoxy-3-fluorobutane?
1-butoxy-3-fluorobutane has a molecular weight of 148.22 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-fluorobutane is sourced from PubChem (CID 20649604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).