1-butoxy-3-fluoropentane

C9H19FO — CID 20651927

IUPAC1-butoxy-3-fluoropentane
SMILESCCCCOCCC(F)CC
InChIInChI=1S/C9H19FO/c1-3-5-7-11-8-6-9(10)4-2/h9H,3-8H2,1-2H3
InChIKeyDCMGCQIITIQELU-UHFFFAOYSA-N
MW162.25 g/mol
LogP2.94
Rot. Bonds7

About 1-butoxy-3-fluoropentane

1-butoxy-3-fluoropentane (PubChem CID 20651927) has the molecular formula C9H19FO and a molecular weight of 162.25 g/mol. Its IUPAC name is 1-butoxy-3-fluoropentane.

Molecular Properties

Compound Name1-butoxy-3-fluoropentane
PubChem CID20651927
Molecular FormulaC9H19FO
Molecular Weight162.25 g/mol
Exact Mass162.14
IUPAC Name1-butoxy-3-fluoropentane
SMILESCCCCOCCC(F)CC
InChIInChI=1S/C9H19FO/c1-3-5-7-11-8-6-9(10)4-2/h9H,3-8H2,1-2H3
InChIKeyDCMGCQIITIQELU-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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

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CID 12743
Amyl ethyl ether
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Butylpentyl ether
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Pentyl propyl ether
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1-(Pentyloxy)pentane--niobium (1/1)
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4-Fluoro-1-methoxypentane
CID 154716146
1-Butoxy-2-fluorobutane
CID 15062446
1-(2-Fluoroethoxy)heptane
CID 14625507
1-(2,2,3,3-Tetrafluorobutoxy)pentane
CID 19782014
1-Butoxy-3-fluorobutane
CID 20649604
1-(3,3,3-Trifluoropropoxy)pentane
CID 20691907

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-fluoropentane?
The IUPAC name of 1-butoxy-3-fluoropentane (CID 20651927) is 1-butoxy-3-fluoropentane.
What is the SMILES notation for 1-butoxy-3-fluoropentane?
The canonical SMILES for 1-butoxy-3-fluoropentane is CCCCOCCC(F)CC.
What is the InChIKey of 1-butoxy-3-fluoropentane?
The InChIKey is DCMGCQIITIQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO/c1-3-5-7-11-8-6-9(10)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-butoxy-3-fluoropentane?
1-butoxy-3-fluoropentane has a molecular weight of 162.25 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-fluoropentane is sourced from PubChem (CID 20651927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).