2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C14H16F2O — CID 142541004

IUPAC2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)=C(C2=CC=C(C)CC2)CC1
InChIInChI=1S/C14H16F2O/c1-9-3-5-10(6-4-9)11-7-8-12(17-2)14(16)13(11)15/h3,5H,4,6-8H2,1-2H3
InChIKeyPOZGIDUPLFITGK-UHFFFAOYSA-N
MW238.28 g/mol
LogP4.50
Rot. Bonds2

About 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 142541004) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID142541004
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)=C(C2=CC=C(C)CC2)CC1
InChIInChI=1S/C14H16F2O/c1-9-3-5-10(6-4-9)11-7-8-12(17-2)14(16)13(11)15/h3,5H,4,6-8H2,1-2H3
InChIKeyPOZGIDUPLFITGK-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 142541004) is 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is COC1=C(F)C(F)=C(C2=CC=C(C)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is POZGIDUPLFITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c1-9-3-5-10(6-4-9)11-7-8-12(17-2)14(16)13(11)15/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 238.28 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 142541004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).