(5R)-5-fluorocyclohexa-1,3-diene

C6H7F — CID 145396733

IUPAC(5R)-5-fluorocyclohexa-1,3-diene
SMILESF[C@H]1C=CC=CC1
InChIInChI=1S/C6H7F/c7-6-4-2-1-3-5-6/h1-4,6H,5H2/t6-/m0/s1
InChIKeyPNQUBKQGJUHNBE-LURJTMIESA-N
MW98.12 g/mol
LogP1.84
Rot. Bonds

About (5R)-5-fluorocyclohexa-1,3-diene

(5R)-5-fluorocyclohexa-1,3-diene (PubChem CID 145396733) has the molecular formula C6H7F and a molecular weight of 98.12 g/mol. Its IUPAC name is (5R)-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-fluorocyclohexa-1,3-diene
PubChem CID145396733
Molecular FormulaC6H7F
Molecular Weight98.12 g/mol
Exact Mass98.05
IUPAC Name(5R)-5-fluorocyclohexa-1,3-diene
SMILESF[C@H]1C=CC=CC1
InChIInChI=1S/C6H7F/c7-6-4-2-1-3-5-6/h1-4,6H,5H2/t6-/m0/s1
InChIKeyPNQUBKQGJUHNBE-LURJTMIESA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-fluorocyclohexa-1,3-diene?
The IUPAC name of (5R)-5-fluorocyclohexa-1,3-diene (CID 145396733) is (5R)-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-fluorocyclohexa-1,3-diene is F[C@H]1C=CC=CC1.
What is the InChIKey of (5R)-5-fluorocyclohexa-1,3-diene?
The InChIKey is PNQUBKQGJUHNBE-LURJTMIESA-N. The full InChI is InChI=1S/C6H7F/c7-6-4-2-1-3-5-6/h1-4,6H,5H2/t6-/m0/s1.
What are the key properties of (5R)-5-fluorocyclohexa-1,3-diene?
(5R)-5-fluorocyclohexa-1,3-diene has a molecular weight of 98.12 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 145396733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).