(1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane

C10H11F5 — CID 643687

IUPAC(1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane
SMILESF/C(=C(\F)C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H11F5/c11-8(9(12)10(13,14)15)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/b9-8-/t5-,6+,7+/m0/s1
InChIKeyARWIWGSMGMBPDF-RUKNSNNVSA-N
MW226.19 g/mol
LogP4.14
Rot. Bonds1

About (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane

(1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane (PubChem CID 643687) has the molecular formula C10H11F5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane
PubChem CID643687
Molecular FormulaC10H11F5
Molecular Weight226.19 g/mol
Exact Mass226.08
IUPAC Name(1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane
SMILESF/C(=C(\F)C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H11F5/c11-8(9(12)10(13,14)15)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/b9-8-/t5-,6+,7+/m0/s1
InChIKeyARWIWGSMGMBPDF-RUKNSNNVSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane with MolForge

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Launch Full Analysis

Related Compounds

Tricyclo(4.2.1.0(sup 2,5))nonane, 2,3-didehydro-3,4,4-trifluoro-
CID 379836
2-(2,2-Difluorovinyl)bicyclo[2.2.1]heptane
CID 11643971
2-(2,2-Difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane
CID 20759708
1,2,3,4,7,7-Hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 20802230
7,7-Dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
CID 21053463
9-(Trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene
CID 22020361
9,10,10-Trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene
CID 22020362
5,6-Bis(ethenyl)-1,2,2,4,7,7-hexafluorobicyclo[2.2.1]heptane
CID 57792871
1,2,3,4,5,5,6,7,7-Nonafluoro-6-(1,1,1-trifluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 60058117
5,6-Bis(ethenyl)-1,2,2,3,3,4,7,7-octafluorobicyclo[2.2.1]heptane
CID 87104269
1,2,3,4,5,6,7-Heptafluoro-5-propan-2-yl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 87656886
2-[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane
CID 90886815

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane (CID 643687) is (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane is F/C(=C(\F)C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane?
The InChIKey is ARWIWGSMGMBPDF-RUKNSNNVSA-N. The full InChI is InChI=1S/C10H11F5/c11-8(9(12)10(13,14)15)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/b9-8-/t5-,6+,7+/m0/s1.
What are the key properties of (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane?
(1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane has a molecular weight of 226.19 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 643687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).