1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene

C10H12F4 — CID 59480871

IUPAC1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene
SMILESCC12CCC(C(F)F)(CC1)C(F)=C2F
InChIInChI=1S/C10H12F4/c1-9-2-4-10(5-3-9,8(13)14)7(12)6(9)11/h8H,2-5H2,1H3
InChIKeyQYIXQLQZSTWNKI-UHFFFAOYSA-N
MW208.20 g/mol
LogP3.98
Rot. Bonds1

About 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene

1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene (PubChem CID 59480871) has the molecular formula C10H12F4 and a molecular weight of 208.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene
PubChem CID59480871
Molecular FormulaC10H12F4
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene
SMILESCC12CCC(C(F)F)(CC1)C(F)=C2F
InChIInChI=1S/C10H12F4/c1-9-2-4-10(5-3-9,8(13)14)7(12)6(9)11/h8H,2-5H2,1H3
InChIKeyQYIXQLQZSTWNKI-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene?
The IUPAC name of 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene (CID 59480871) is 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene is CC12CCC(C(F)F)(CC1)C(F)=C2F.
What is the InChIKey of 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene?
The InChIKey is QYIXQLQZSTWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4/c1-9-2-4-10(5-3-9,8(13)14)7(12)6(9)11/h8H,2-5H2,1H3.
What are the key properties of 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene?
1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene has a molecular weight of 208.20 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,3-difluoro-4-methylbicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 59480871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).