acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene

C8H4F2 — CID 174821315

IUPACacetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESC#C.Fc1c2ccc-2c1F
InChIInChI=1S/C6H2F2.C2H2/c7-5-3-1-2-4(3)6(5)8;1-2/h1-2H;1-2H
InChIKeyZUZJKIPEQALTFD-UHFFFAOYSA-N
MW138.12 g/mol
LogP2.19
Rot. Bonds

About acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene

acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174821315) has the molecular formula C8H4F2 and a molecular weight of 138.12 g/mol. Its IUPAC name is acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameacetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174821315
Molecular FormulaC8H4F2
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Nameacetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESC#C.Fc1c2ccc-2c1F
InChIInChI=1S/C6H2F2.C2H2/c7-5-3-1-2-4(3)6(5)8;1-2/h1-2H;1-2H
InChIKeyZUZJKIPEQALTFD-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene
CID 70482555
1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
CID 164665926
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane
CID 144602990
2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899
2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 118991508
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
(2S)-2-amino-3-[4-[4-[(2R)-2-amino-2-cyanoethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]propanenitrile
CID 145148112
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027

Frequently Asked Questions

What is the IUPAC name of acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene (CID 174821315) is acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene is C#C.Fc1c2ccc-2c1F.
What is the InChIKey of acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is ZUZJKIPEQALTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2.C2H2/c7-5-3-1-2-4(3)6(5)8;1-2/h1-2H;1-2H.
What are the key properties of acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene?
acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 138.12 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174821315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).