1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane

C14H23F — CID 143051679

IUPAC1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
SMILESCC.CCC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H17F.C2H6/c1-4-12(2,3)9-10-5-7-11(13)8-6-10;1-2/h5-8H,4,9H2,1-3H3;1-2H3
InChIKeyWLEPNNYMCFCQIU-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.83
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane

1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane (PubChem CID 143051679) has the molecular formula C14H23F and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
PubChem CID143051679
Molecular FormulaC14H23F
Molecular Weight210.34 g/mol
Exact Mass210.18
IUPAC Name1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
SMILESCC.CCC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H17F.C2H6/c1-4-12(2,3)9-10-5-7-11(13)8-6-10;1-2/h5-8H,4,9H2,1-3H3;1-2H3
InChIKeyWLEPNNYMCFCQIU-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane?
The IUPAC name of 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane (CID 143051679) is 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane?
The canonical SMILES for 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane is CC.CCC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane?
The InChIKey is WLEPNNYMCFCQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F.C2H6/c1-4-12(2,3)9-10-5-7-11(13)8-6-10;1-2/h5-8H,4,9H2,1-3H3;1-2H3.
What are the key properties of 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane?
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane has a molecular weight of 210.34 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane is sourced from PubChem (CID 143051679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).