4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene

C10H13F3 — CID 59480741

IUPAC4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene
SMILESCC12CCC(C(F)F)(C=C1F)CC2
InChIInChI=1S/C10H13F3/c1-9-2-4-10(5-3-9,8(12)13)6-7(9)11/h6,8H,2-5H2,1H3
InChIKeyOJEFQWXPZYPSGX-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.69
Rot. Bonds1

About 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene

4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene (PubChem CID 59480741) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene
PubChem CID59480741
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene
SMILESCC12CCC(C(F)F)(C=C1F)CC2
InChIInChI=1S/C10H13F3/c1-9-2-4-10(5-3-9,8(12)13)6-7(9)11/h6,8H,2-5H2,1H3
InChIKeyOJEFQWXPZYPSGX-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene (CID 59480741) is 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene is CC12CCC(C(F)F)(C=C1F)CC2.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene?
The InChIKey is OJEFQWXPZYPSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-9-2-4-10(5-3-9,8(12)13)6-7(9)11/h6,8H,2-5H2,1H3.
What are the key properties of 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene?
4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene has a molecular weight of 190.21 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-fluoro-1-methylbicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 59480741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).