(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene

C8H10F2O — CID 89339975

IUPAC(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene
SMILESC[C@@H]1CC=CC=C1OC(F)F
InChIInChI=1S/C8H10F2O/c1-6-4-2-3-5-7(6)11-8(9)10/h2-3,5-6,8H,4H2,1H3/t6-/m1/s1
InChIKeyYBNMPJDBIQFYPP-ZCFIWIBFSA-N
MW160.16 g/mol
LogP2.71
Rot. Bonds2

About (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene

(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene (PubChem CID 89339975) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene
PubChem CID89339975
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene
SMILESC[C@@H]1CC=CC=C1OC(F)F
InChIInChI=1S/C8H10F2O/c1-6-4-2-3-5-7(6)11-8(9)10/h2-3,5-6,8H,4H2,1H3/t6-/m1/s1
InChIKeyYBNMPJDBIQFYPP-ZCFIWIBFSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene (CID 89339975) is (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene is C[C@@H]1CC=CC=C1OC(F)F.
What is the InChIKey of (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene?
The InChIKey is YBNMPJDBIQFYPP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10F2O/c1-6-4-2-3-5-7(6)11-8(9)10/h2-3,5-6,8H,4H2,1H3/t6-/m1/s1.
What are the key properties of (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene?
(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 89339975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).