(6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene

C8H10F2O — CID 145352145

IUPAC(6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)[C@@H](C)CC=C1F
InChIInChI=1S/C8H10F2O/c1-5-3-4-6(9)8(11-2)7(5)10/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyAIVKITMBMGCHLJ-YFKPBYRVSA-N
MW160.16 g/mol
LogP2.71
Rot. Bonds1

About (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene

(6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene (PubChem CID 145352145) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene
PubChem CID145352145
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name(6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)[C@@H](C)CC=C1F
InChIInChI=1S/C8H10F2O/c1-5-3-4-6(9)8(11-2)7(5)10/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyAIVKITMBMGCHLJ-YFKPBYRVSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The IUPAC name of (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene (CID 145352145) is (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The canonical SMILES for (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene is COC1=C(F)[C@@H](C)CC=C1F.
What is the InChIKey of (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The InChIKey is AIVKITMBMGCHLJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F2O/c1-5-3-4-6(9)8(11-2)7(5)10/h4-5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
(6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,3-difluoro-2-methoxy-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 145352145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).