ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene

C15H22F2 — CID 142500255

IUPACethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene
SMILESC=CC1=C(/C=C\C)C2(F)CC1(F)C2(C)C.CC
InChIInChI=1S/C13H16F2.C2H6/c1-5-7-10-9(6-2)12(14)8-13(10,15)11(12,3)4;1-2/h5-7H,2,8H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyRKEWCKNYRSHKAA-YJOCEBFMSA-N
MW240.34 g/mol
LogP4.93
Rot. Bonds2

About ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene

ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene (PubChem CID 142500255) has the molecular formula C15H22F2 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene.

Molecular Properties

Compound Nameethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene
PubChem CID142500255
Molecular FormulaC15H22F2
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene
SMILESC=CC1=C(/C=C\C)C2(F)CC1(F)C2(C)C.CC
InChIInChI=1S/C13H16F2.C2H6/c1-5-7-10-9(6-2)12(14)8-13(10,15)11(12,3)4;1-2/h5-7H,2,8H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyRKEWCKNYRSHKAA-YJOCEBFMSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene?
The IUPAC name of ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene (CID 142500255) is ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene.
What is the SMILES notation for ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene?
The canonical SMILES for ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene is C=CC1=C(/C=C\C)C2(F)CC1(F)C2(C)C.CC.
What is the InChIKey of ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene?
The InChIKey is RKEWCKNYRSHKAA-YJOCEBFMSA-N. The full InChI is InChI=1S/C13H16F2.C2H6/c1-5-7-10-9(6-2)12(14)8-13(10,15)11(12,3)4;1-2/h5-7H,2,8H2,1,3-4H3;1-2H3/b7-5-;.
What are the key properties of ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene?
ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene has a molecular weight of 240.34 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene is sourced from PubChem (CID 142500255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).