4-(4-fluorobutyl)-2-methyl-1,3-dioxolane

C8H15FO2 — CID 59912715

IUPAC4-(4-fluorobutyl)-2-methyl-1,3-dioxolane
SMILESCC1OCC(CCCCF)O1
InChIInChI=1S/C8H15FO2/c1-7-10-6-8(11-7)4-2-3-5-9/h7-8H,2-6H2,1H3
InChIKeyGVPOGHUDQBZMRQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.89
Rot. Bonds4

About 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane

4-(4-fluorobutyl)-2-methyl-1,3-dioxolane (PubChem CID 59912715) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(4-fluorobutyl)-2-methyl-1,3-dioxolane
PubChem CID59912715
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name4-(4-fluorobutyl)-2-methyl-1,3-dioxolane
SMILESCC1OCC(CCCCF)O1
InChIInChI=1S/C8H15FO2/c1-7-10-6-8(11-7)4-2-3-5-9/h7-8H,2-6H2,1H3
InChIKeyGVPOGHUDQBZMRQ-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Heptanal propyleneglycol acetal
CID 20357
2-Hexyl-4,5-dimethyl-1,3-dioxolane
CID 94886
4-Methyl-2-pentyl-1,3-dioxolane
CID 15336
Nonanal propyleneglycol acetal
CID 95572
Octanal propyleneglycol acetal
CID 560109
Decanal propylene glycol acetal
CID 95397
2-Decyl-4-methyl-1,3-dioxolane
CID 229153
Valeraldehyde propyleneglycol acetal
CID 156273
4-Butyldioxolane
CID 126446
Hexanal butane-2,3-diol acetal
CID 11084346
2-Pentyl-1,3-dioxolane
CID 77050
cis-4-Methyl-2-pentyl-1,3-dioxolane
CID 23617538

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane (CID 59912715) is 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane is CC1OCC(CCCCF)O1.
What is the InChIKey of 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane?
The InChIKey is GVPOGHUDQBZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-7-10-6-8(11-7)4-2-3-5-9/h7-8H,2-6H2,1H3.
What are the key properties of 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane?
4-(4-fluorobutyl)-2-methyl-1,3-dioxolane has a molecular weight of 162.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobutyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 59912715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).