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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Related Compounds

1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
Cyclohexene, 1,5,5-trimethyl-6-methylene-
CID 578237
Cyclohexene, 3,3-dimethyl-6-methylene-
CID 572074
3-Methylene-1,5,5-trimethylcyclohexene
CID 140110
(4R)-4-ethenyl-4-methyl-3-propan-2-ylidenecyclohexene
CID 162918166
1,5,5-Trimethylcyclohexa-1,3-diene
CID 12983934
1-Tert-butylcyclohexa-1,3-diene
CID 2755578
1-Methylene-2,4,4-Trimethyl-2-Cyclohexene
CID 13354248
1,4,4-Trimethyl-3,5-dimethylidenecyclopentene
CID 11557292
5-Ethyl-1,5-dimethyl-1,3-cyclohexadiene
CID 19013748
1,3,5-Trimethylstyrene
CID 129694539
1,3-Dimethyl-3-butenyl-benzene
CID 129866240

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).