1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene

C15H17F — CID 139812666

IUPAC1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
SMILESCC(C)(C)C1=CC(c2ccc(F)cc2)=CC1
InChIInChI=1S/C15H17F/c1-15(2,3)13-7-4-12(10-13)11-5-8-14(16)9-6-11/h4-6,8-10H,7H2,1-3H3
InChIKeyACSCIEQEPABVCT-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.59
Rot. Bonds1

About 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene

1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene (PubChem CID 139812666) has the molecular formula C15H17F and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
PubChem CID139812666
Molecular FormulaC15H17F
Molecular Weight216.30 g/mol
Exact Mass216.13
IUPAC Name1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
SMILESCC(C)(C)C1=CC(c2ccc(F)cc2)=CC1
InChIInChI=1S/C15H17F/c1-15(2,3)13-7-4-12(10-13)11-5-8-14(16)9-6-11/h4-6,8-10H,7H2,1-3H3
InChIKeyACSCIEQEPABVCT-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
The IUPAC name of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene (CID 139812666) is 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
The canonical SMILES for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene is CC(C)(C)C1=CC(c2ccc(F)cc2)=CC1.
What is the InChIKey of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
The InChIKey is ACSCIEQEPABVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F/c1-15(2,3)13-7-4-12(10-13)11-5-8-14(16)9-6-11/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene has a molecular weight of 216.30 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene is sourced from PubChem (CID 139812666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).