2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane

C13H23FO2 — CID 90091458

IUPAC2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane
SMILESCCCCC1(C2CCC(F)CC2)OCCO1
InChIInChI=1S/C13H23FO2/c1-2-3-8-13(15-9-10-16-13)11-4-6-12(14)7-5-11/h11-12H,2-10H2,1H3
InChIKeyRLJFZICFVBBALQ-UHFFFAOYSA-N
MW230.32 g/mol
LogP3.45
Rot. Bonds4

About 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane

2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane (PubChem CID 90091458) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane
PubChem CID90091458
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Name2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane
SMILESCCCCC1(C2CCC(F)CC2)OCCO1
InChIInChI=1S/C13H23FO2/c1-2-3-8-13(15-9-10-16-13)11-4-6-12(14)7-5-11/h11-12H,2-10H2,1H3
InChIKeyRLJFZICFVBBALQ-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(1,1-Dimethylethyl)-1,4-dioxaspiro(4.5)decane
CID 56841677
1,4-Dioxaspiro(4.5)decane-3-methanol, 6-methyl-
CID 45280
2-(2-Cyclohexylethyl)-1,3-dioxolane
CID 910866
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
9-Methyl-6-(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 13113306
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
6-Methyl-1,4-dioxaspiro[4.5]decane
CID 291808
4-[[Cyclohexyl(difluoro)methoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 176426585
6,10-Dimethyl-1,4-dioxaspiro[4,5]decane
CID 13778953
8-Ethyl-1,4-dioxaspiro[4.5]decane
CID 21016596
2-(1-Butylheptyl)-1,3-dioxolane
CID 11971166
2,2-Difluoro-4-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxolane
CID 17788617

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane?
The IUPAC name of 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane (CID 90091458) is 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane.
What is the SMILES notation for 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane?
The canonical SMILES for 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane is CCCCC1(C2CCC(F)CC2)OCCO1.
What is the InChIKey of 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane?
The InChIKey is RLJFZICFVBBALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2/c1-2-3-8-13(15-9-10-16-13)11-4-6-12(14)7-5-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane?
2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane has a molecular weight of 230.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(4-fluorocyclohexyl)-1,3-dioxolane is sourced from PubChem (CID 90091458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).