1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene

C14H14F2O2 — CID 71294629

IUPAC1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene
SMILESCOC1=CC(OCc2cc(F)ccc2F)=CCC1
InChIInChI=1S/C14H14F2O2/c1-17-12-3-2-4-13(8-12)18-9-10-7-11(15)5-6-14(10)16/h4-8H,2-3,9H2,1H3
InChIKeyBPCWYKNEJZQOHD-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.69
Rot. Bonds4

About 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene

1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene (PubChem CID 71294629) has the molecular formula C14H14F2O2 and a molecular weight of 252.26 g/mol. Its IUPAC name is 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene
PubChem CID71294629
Molecular FormulaC14H14F2O2
Molecular Weight252.26 g/mol
Exact Mass252.10
IUPAC Name1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene
SMILESCOC1=CC(OCc2cc(F)ccc2F)=CCC1
InChIInChI=1S/C14H14F2O2/c1-17-12-3-2-4-13(8-12)18-9-10-7-11(15)5-6-14(10)16/h4-8H,2-3,9H2,1H3
InChIKeyBPCWYKNEJZQOHD-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene?
The IUPAC name of 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene (CID 71294629) is 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene.
What is the SMILES notation for 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene?
The canonical SMILES for 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene is COC1=CC(OCc2cc(F)ccc2F)=CCC1.
What is the InChIKey of 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene?
The InChIKey is BPCWYKNEJZQOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O2/c1-17-12-3-2-4-13(8-12)18-9-10-7-11(15)5-6-14(10)16/h4-8H,2-3,9H2,1H3.
What are the key properties of 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene?
1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene has a molecular weight of 252.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-[(5-methoxycyclohexa-1,5-dien-1-yl)oxymethyl]benzene is sourced from PubChem (CID 71294629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).