ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene

C13H21FO — CID 144811052

IUPACethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
SMILESCC.CCC(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C11H15FO.C2H6/c1-4-11(2,3)13-10-7-5-9(12)6-8-10;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyBIQGNMNQCRINHE-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.42
Rot. Bonds3

About ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene

ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene (PubChem CID 144811052) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
PubChem CID144811052
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Nameethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
SMILESCC.CCC(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C11H15FO.C2H6/c1-4-11(2,3)13-10-7-5-9(12)6-8-10;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyBIQGNMNQCRINHE-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene?
The IUPAC name of ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene (CID 144811052) is ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene.
What is the SMILES notation for ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene?
The canonical SMILES for ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene is CC.CCC(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene?
The InChIKey is BIQGNMNQCRINHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO.C2H6/c1-4-11(2,3)13-10-7-5-9(12)6-8-10;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene?
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene has a molecular weight of 212.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene is sourced from PubChem (CID 144811052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).