2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane

C13H17FO — CID 100990347

IUPAC2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane
SMILESCC1CCC(CCc2ccc(F)cc2)O1
InChIInChI=1S/C13H17FO/c1-10-2-8-13(15-10)9-5-11-3-6-12(14)7-4-11/h3-4,6-7,10,13H,2,5,8-9H2,1H3
InChIKeyTYPJBLWGDMJYQA-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.33
Rot. Bonds3

About 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane

2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane (PubChem CID 100990347) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane
PubChem CID100990347
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane
SMILESCC1CCC(CCc2ccc(F)cc2)O1
InChIInChI=1S/C13H17FO/c1-10-2-8-13(15-10)9-5-11-3-6-12(14)7-4-11/h3-4,6-7,10,13H,2,5,8-9H2,1H3
InChIKeyTYPJBLWGDMJYQA-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 61517
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Rhubafuran
CID 113514
Benzene, [2-(cyclohexyloxy)ethyl]-
CID 166527
Benzene, (2-ethoxyethyl)-
CID 74556
Butyl phenethyl ether
CID 79240
Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442
Benzyl tetrahydropyran
CID 12284886
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
(3-Ethoxypropyl)benzene
CID 79929
Benzene, [2-(cyclopentyloxy)ethyl]-
CID 15875394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane (CID 100990347) is 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane is CC1CCC(CCc2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane?
The InChIKey is TYPJBLWGDMJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-10-2-8-13(15-10)9-5-11-3-6-12(14)7-4-11/h3-4,6-7,10,13H,2,5,8-9H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane?
2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane has a molecular weight of 208.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane is sourced from PubChem (CID 100990347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).