2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene

C6F4 — CID 45090416

IUPAC2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESFc1c(F)c2c(F)c-2c1F
InChIInChI=1S/C6F4/c7-3-1-2(3)5(9)6(10)4(1)8
InChIKeyVKQYYVJBPVLXQS-UHFFFAOYSA-N
MW148.06 g/mol
LogP2.22
Rot. Bonds

About 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene

2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 45090416) has the molecular formula C6F4 and a molecular weight of 148.06 g/mol. Its IUPAC name is 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID45090416
Molecular FormulaC6F4
Molecular Weight148.06 g/mol
Exact Mass147.99
IUPAC Name2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESFc1c(F)c2c(F)c-2c1F
InChIInChI=1S/C6F4/c7-3-1-2(3)5(9)6(10)4(1)8
InChIKeyVKQYYVJBPVLXQS-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 52.22
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

1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
1,2,3,4,5-pentafluoro-6-[2,3,6-trifluoro-4,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497136
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene
CID 4282953
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
CID 2783336
3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 102071858
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene
CID 87931007
CID 173183827
CID 173183827
tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
CID 59336448
2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
CID 58820640
1,2,3,4,5,6,7,9,10-nonafluoro-8-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrene
CID 151112358
trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
CID 102286594

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene (CID 45090416) is 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene is Fc1c(F)c2c(F)c-2c1F.
What is the InChIKey of 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is VKQYYVJBPVLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4/c7-3-1-2(3)5(9)6(10)4(1)8.
What are the key properties of 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene?
2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 148.06 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 45090416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).