2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane

C9H11F3 — CID 20759708

IUPAC2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane
SMILESFC(F)=CC1C2CCC(C2)C1F
InChIInChI=1S/C9H11F3/c10-8(11)4-7-5-1-2-6(3-5)9(7)12/h4-7,9H,1-3H2
InChIKeyVPROHHNQUYXOHI-UHFFFAOYSA-N
MW176.18 g/mol
LogP3.15
Rot. Bonds1

About 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane

2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane (PubChem CID 20759708) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane
PubChem CID20759708
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane
SMILESFC(F)=CC1C2CCC(C2)C1F
InChIInChI=1S/C9H11F3/c10-8(11)4-7-5-1-2-6(3-5)9(7)12/h4-7,9H,1-3H2
InChIKeyVPROHHNQUYXOHI-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Ethenylbicyclo[2.2.1]heptane
CID 548985
bicyclo[2.2.1]heptane, 2-[(1Z)-1,2,3,3,3-pentafluoro-1-propenyl]-, (1R,2R,4S)-
CID 643687
2-(2,2-Difluorovinyl)bicyclo[2.2.1]heptane
CID 11643971
5,6-Bis(ethenyl)-1,2,2,4,7,7-hexafluorobicyclo[2.2.1]heptane
CID 57792871
6-Ethenyl-1,2,2,3,3,4,5,5,7,7-decafluorobicyclo[2.2.1]heptane
CID 57792885
2-Ethenyl-1,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane
CID 57792914
5,6-Bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane
CID 87104269
2,3-Bis(ethenyl)-1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
CID 87104270
6-Ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane
CID 87104326
6-Ethenyl-2,2,3,3,4,5,5-heptafluoro-1,7,7-tris(trifluoromethyl)bicyclo[2.2.1]heptane
CID 87104449
2-[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane
CID 90886815
2-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
CID 91459533

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane (CID 20759708) is 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane is FC(F)=CC1C2CCC(C2)C1F.
What is the InChIKey of 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane?
The InChIKey is VPROHHNQUYXOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3/c10-8(11)4-7-5-1-2-6(3-5)9(7)12/h4-7,9H,1-3H2.
What are the key properties of 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane?
2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane has a molecular weight of 176.18 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 20759708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).