(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene

C8H11FO — CID 67991602

IUPAC(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C[C@@H](C)CC=C1F
InChIInChI=1S/C8H11FO/c1-6-3-4-7(9)8(5-6)10-2/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyHAZLRYSIXNNFDF-LURJTMIESA-N
MW142.17 g/mol
LogP2.41
Rot. Bonds1

About (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene

(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene (PubChem CID 67991602) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
PubChem CID67991602
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=C[C@@H](C)CC=C1F
InChIInChI=1S/C8H11FO/c1-6-3-4-7(9)8(5-6)10-2/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyHAZLRYSIXNNFDF-LURJTMIESA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene (CID 67991602) is (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene is COC1=C[C@@H](C)CC=C1F.
What is the InChIKey of (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is HAZLRYSIXNNFDF-LURJTMIESA-N. The full InChI is InChI=1S/C8H11FO/c1-6-3-4-7(9)8(5-6)10-2/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene?
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 67991602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).