1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene

C18H16F2 — CID 21332298

IUPAC1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene
SMILESFc1cc(CC2=CC=CC2)c(F)cc1CC1=CC=CC1
InChIInChI=1S/C18H16F2/c19-17-12-16(10-14-7-3-4-8-14)18(20)11-15(17)9-13-5-1-2-6-13/h1-5,7,11-12H,6,8-10H2
InChIKeyAFQGUWPWTVHFRV-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.82
Rot. Bonds4

About 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene

1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene (PubChem CID 21332298) has the molecular formula C18H16F2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene.

Molecular Properties

Compound Name1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene
PubChem CID21332298
Molecular FormulaC18H16F2
Molecular Weight270.32 g/mol
Exact Mass270.12
IUPAC Name1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene
SMILESFc1cc(CC2=CC=CC2)c(F)cc1CC1=CC=CC1
InChIInChI=1S/C18H16F2/c19-17-12-16(10-14-7-3-4-8-14)18(20)11-15(17)9-13-5-1-2-6-13/h1-5,7,11-12H,6,8-10H2
InChIKeyAFQGUWPWTVHFRV-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene?
The IUPAC name of 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene (CID 21332298) is 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene.
What is the SMILES notation for 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene?
The canonical SMILES for 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene is Fc1cc(CC2=CC=CC2)c(F)cc1CC1=CC=CC1.
What is the InChIKey of 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene?
The InChIKey is AFQGUWPWTVHFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2/c19-17-12-16(10-14-7-3-4-8-14)18(20)11-15(17)9-13-5-1-2-6-13/h1-5,7,11-12H,6,8-10H2.
What are the key properties of 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene?
1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene has a molecular weight of 270.32 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene is sourced from PubChem (CID 21332298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).