1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene

C17H18F6O2 — CID 167078970

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene
SMILESCOC1=CC=C(C(C2=CC=C(OC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H18F6O2/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyMGIUUOHIOAOTRE-UHFFFAOYSA-N
MW368.32 g/mol
LogP5.60
Rot. Bonds4

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene

1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene (PubChem CID 167078970) has the molecular formula C17H18F6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene
PubChem CID167078970
Molecular FormulaC17H18F6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene
SMILESCOC1=CC=C(C(C2=CC=C(OC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H18F6O2/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyMGIUUOHIOAOTRE-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.32
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene (CID 167078970) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene is COC1=CC=C(C(C2=CC=C(OC)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene?
The InChIKey is MGIUUOHIOAOTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F6O2/c1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12/h3,5,7,9H,4,6,8,10H2,1-2H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene?
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene has a molecular weight of 368.32 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 167078970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).