1-tert-butyl-4-fluorocyclohexa-1,3-diene

C10H15F — CID 89176934

IUPAC1-tert-butyl-4-fluorocyclohexa-1,3-diene
SMILESCC(C)(C)C1=CC=C(F)CC1
InChIInChI=1S/C10H15F/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6H,5,7H2,1-3H3
InChIKeyCNHFCEAGQPBDMF-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.61
Rot. Bonds

About 1-tert-butyl-4-fluorocyclohexa-1,3-diene

1-tert-butyl-4-fluorocyclohexa-1,3-diene (PubChem CID 89176934) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-tert-butyl-4-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-tert-butyl-4-fluorocyclohexa-1,3-diene
PubChem CID89176934
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name1-tert-butyl-4-fluorocyclohexa-1,3-diene
SMILESCC(C)(C)C1=CC=C(F)CC1
InChIInChI=1S/C10H15F/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6H,5,7H2,1-3H3
InChIKeyCNHFCEAGQPBDMF-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-tert-butyl-4-fluorocyclohexa-1,3-diene (CID 89176934) is 1-tert-butyl-4-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-tert-butyl-4-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-tert-butyl-4-fluorocyclohexa-1,3-diene is CC(C)(C)C1=CC=C(F)CC1.
What is the InChIKey of 1-tert-butyl-4-fluorocyclohexa-1,3-diene?
The InChIKey is CNHFCEAGQPBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6H,5,7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-fluorocyclohexa-1,3-diene?
1-tert-butyl-4-fluorocyclohexa-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 89176934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).