2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

C9F10 — CID 12566761

IUPAC2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C9F10/c10-3-1-2(4(11)6(13)5(3)12)8(15,16)7(1,14)9(17,18)19
InChIKeyWQJWXJSNFCWJFR-UHFFFAOYSA-N
MW298.08 g/mol
LogP4.08
Rot. Bonds

About 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 12566761) has the molecular formula C9F10 and a molecular weight of 298.08 g/mol. Its IUPAC name is 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID12566761
Molecular FormulaC9F10
Molecular Weight298.08 g/mol
Exact Mass297.98
IUPAC Name2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C9F10/c10-3-1-2(4(11)6(13)5(3)12)8(15,16)7(1,14)9(17,18)19
InChIKeyWQJWXJSNFCWJFR-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 125496698
2,3,4,5,7,7-hexafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 13492595
1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene
CID 11078885
2,3,4,5,8,8-hexafluoro-7-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 626457
2-bromo-1,1,2,3,3,4,4,5,6,7,8-undecafluoronaphthalene
CID 12521074
2,3,4,5,8,8-hexafluoro-7-[2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 15312175
(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane
CID 134333725
1,1,2,2,3,3,4,4,5,6,7,8,9,10,11,12-hexadecafluorochrysene
CID 12588586
(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
CID 5378372
4-[2,3,4,5-tetrafluoro-6-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]phenyl]phenol
CID 141196647
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
CID 14195971
1,3-difluoro-2,3,4,4-tetrakis(trifluoromethyl)cyclobutene
CID 154989601

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 12566761) is 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)C(F)(F)F.
What is the InChIKey of 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is WQJWXJSNFCWJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F10/c10-3-1-2(4(11)6(13)5(3)12)8(15,16)7(1,14)9(17,18)19.
What are the key properties of 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 298.08 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 12566761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).