1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene

C12H16F2O — CID 123606962

IUPAC1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=C(C)C(C)=C(F)C(F)C1OC
InChIInChI=1S/C12H16F2O/c1-6(2)9-7(3)8(4)10(13)11(14)12(9)15-5/h11-12H,1H2,2-5H3
InChIKeyHMXBWRWLHQWBHB-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.49
Rot. Bonds2

About 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene

1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene (PubChem CID 123606962) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
PubChem CID123606962
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=C(C)C(C)=C(F)C(F)C1OC
InChIInChI=1S/C12H16F2O/c1-6(2)9-7(3)8(4)10(13)11(14)12(9)15-5/h11-12H,1H2,2-5H3
InChIKeyHMXBWRWLHQWBHB-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene (CID 123606962) is 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene is C=C(C)C1=C(C)C(C)=C(F)C(F)C1OC.
What is the InChIKey of 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
The InChIKey is HMXBWRWLHQWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-6(2)9-7(3)8(4)10(13)11(14)12(9)15-5/h11-12H,1H2,2-5H3.
What are the key properties of 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene has a molecular weight of 214.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-5-methoxy-2,3-dimethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 123606962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).