1-(2-butan-2-yloxyethyl)-4-fluorobenzene

C12H17FO — CID 91693482

IUPAC1-(2-butan-2-yloxyethyl)-4-fluorobenzene
SMILESCCC(C)OCCc1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-3-10(2)14-9-8-11-4-6-12(13)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyCOKJWSRWDSRMQB-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-butan-2-yloxyethyl)-4-fluorobenzene

1-(2-butan-2-yloxyethyl)-4-fluorobenzene (PubChem CID 91693482) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2-butan-2-yloxyethyl)-4-fluorobenzene
PubChem CID91693482
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-(2-butan-2-yloxyethyl)-4-fluorobenzene
SMILESCCC(C)OCCc1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-3-10(2)14-9-8-11-4-6-12(13)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyCOKJWSRWDSRMQB-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyethyl)-4-fluorobenzene?
The IUPAC name of 1-(2-butan-2-yloxyethyl)-4-fluorobenzene (CID 91693482) is 1-(2-butan-2-yloxyethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2-butan-2-yloxyethyl)-4-fluorobenzene?
The canonical SMILES for 1-(2-butan-2-yloxyethyl)-4-fluorobenzene is CCC(C)OCCc1ccc(F)cc1.
What is the InChIKey of 1-(2-butan-2-yloxyethyl)-4-fluorobenzene?
The InChIKey is COKJWSRWDSRMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-3-10(2)14-9-8-11-4-6-12(13)7-5-11/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-butan-2-yloxyethyl)-4-fluorobenzene?
1-(2-butan-2-yloxyethyl)-4-fluorobenzene has a molecular weight of 196.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxyethyl)-4-fluorobenzene is sourced from PubChem (CID 91693482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).