7,8-difluoro-2,3,4,5-tetrahydrochrysene

C18H14F2 — CID 175309639

IUPAC7,8-difluoro-2,3,4,5-tetrahydrochrysene
SMILESFc1ccc2c(c1F)=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C18H14F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h3,5-6,8-10H,1-2,4,7H2
InChIKeyOCOXRUMPBATSAH-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.71
Rot. Bonds

About 7,8-difluoro-2,3,4,5-tetrahydrochrysene

7,8-difluoro-2,3,4,5-tetrahydrochrysene (PubChem CID 175309639) has the molecular formula C18H14F2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 7,8-difluoro-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name7,8-difluoro-2,3,4,5-tetrahydrochrysene
PubChem CID175309639
Molecular FormulaC18H14F2
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name7,8-difluoro-2,3,4,5-tetrahydrochrysene
SMILESFc1ccc2c(c1F)=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C18H14F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h3,5-6,8-10H,1-2,4,7H2
InChIKeyOCOXRUMPBATSAH-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 7,8-difluoro-2,3,4,5-tetrahydrochrysene (CID 175309639) is 7,8-difluoro-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 7,8-difluoro-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 7,8-difluoro-2,3,4,5-tetrahydrochrysene is Fc1ccc2c(c1F)=CCc1c3c(ccc1=2)=CCCC3.
What is the InChIKey of 7,8-difluoro-2,3,4,5-tetrahydrochrysene?
The InChIKey is OCOXRUMPBATSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h3,5-6,8-10H,1-2,4,7H2.
What are the key properties of 7,8-difluoro-2,3,4,5-tetrahydrochrysene?
7,8-difluoro-2,3,4,5-tetrahydrochrysene has a molecular weight of 268.31 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 175309639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).