1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene

C15H16F2O — CID 142330857

IUPAC1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene
SMILESC=CC1=CC=C(C2=C(F)C(F)=C(OC)CC2)CC1
InChIInChI=1S/C15H16F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3-4,6H,1,5,7-9H2,2H3
InChIKeyQDXQDDHLCKDZLS-UHFFFAOYSA-N
MW250.29 g/mol
LogP4.66
Rot. Bonds3

About 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene

1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene (PubChem CID 142330857) has the molecular formula C15H16F2O and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene
PubChem CID142330857
Molecular FormulaC15H16F2O
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene
SMILESC=CC1=CC=C(C2=C(F)C(F)=C(OC)CC2)CC1
InChIInChI=1S/C15H16F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3-4,6H,1,5,7-9H2,2H3
InChIKeyQDXQDDHLCKDZLS-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene?
The IUPAC name of 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene (CID 142330857) is 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene is C=CC1=CC=C(C2=C(F)C(F)=C(OC)CC2)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene?
The InChIKey is QDXQDDHLCKDZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3-4,6H,1,5,7-9H2,2H3.
What are the key properties of 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene?
1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene has a molecular weight of 250.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexa-1,3-dien-1-yl)-2,3-difluoro-4-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 142330857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).