4-fluoro-1-propoxypentane

C8H17FO — CID 58862898

IUPAC4-fluoro-1-propoxypentane
SMILESCCCOCCCC(C)F
InChIInChI=1S/C8H17FO/c1-3-6-10-7-4-5-8(2)9/h8H,3-7H2,1-2H3
InChIKeyDVELXZLMPZDWKH-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.55
Rot. Bonds6

About 4-fluoro-1-propoxypentane

4-fluoro-1-propoxypentane (PubChem CID 58862898) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 4-fluoro-1-propoxypentane.

Molecular Properties

Compound Name4-fluoro-1-propoxypentane
PubChem CID58862898
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name4-fluoro-1-propoxypentane
SMILESCCCOCCCC(C)F
InChIInChI=1S/C8H17FO/c1-3-6-10-7-4-5-8(2)9/h8H,3-7H2,1-2H3
InChIKeyDVELXZLMPZDWKH-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

Pentyl ether
CID 12743
Amyl ethyl ether
CID 87370
Butylpentyl ether
CID 29161
Pentyl propyl ether
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CID 9770
1-(Pentyloxy)pentane--niobium (1/1)
CID 57346431
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-Butoxy-3-fluoropentane
CID 20651927

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propoxypentane?
The IUPAC name of 4-fluoro-1-propoxypentane (CID 58862898) is 4-fluoro-1-propoxypentane.
What is the SMILES notation for 4-fluoro-1-propoxypentane?
The canonical SMILES for 4-fluoro-1-propoxypentane is CCCOCCCC(C)F.
What is the InChIKey of 4-fluoro-1-propoxypentane?
The InChIKey is DVELXZLMPZDWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-3-6-10-7-4-5-8(2)9/h8H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-1-propoxypentane?
4-fluoro-1-propoxypentane 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 4-fluoro-1-propoxypentane is sourced from PubChem (CID 58862898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).