1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene

C17H18F2 — CID 129043308

IUPAC1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene
SMILESC=CC1=CCC(/C=C/c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C17H18F2/c1-3-13-5-7-14(8-6-13)9-11-15-10-4-12(2)16(18)17(15)19/h3-5,9-11,14H,1,6-8H2,2H3/b11-9+
InChIKeyKDODPEGPQJIZIO-PKNBQFBNSA-N
MW260.33 g/mol
LogP5.20
Rot. Bonds3

About 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene

1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene (PubChem CID 129043308) has the molecular formula C17H18F2 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene
PubChem CID129043308
Molecular FormulaC17H18F2
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene
SMILESC=CC1=CCC(/C=C/c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C17H18F2/c1-3-13-5-7-14(8-6-13)9-11-15-10-4-12(2)16(18)17(15)19/h3-5,9-11,14H,1,6-8H2,2H3/b11-9+
InChIKeyKDODPEGPQJIZIO-PKNBQFBNSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.33
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene (CID 129043308) is 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene is C=CC1=CCC(/C=C/c2ccc(C)c(F)c2F)CC1.
What is the InChIKey of 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is KDODPEGPQJIZIO-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H18F2/c1-3-13-5-7-14(8-6-13)9-11-15-10-4-12(2)16(18)17(15)19/h3-5,9-11,14H,1,6-8H2,2H3/b11-9+.
What are the key properties of 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene?
1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 260.33 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 129043308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).