7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene

C24H23F5 — CID 139863157

IUPAC7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1cc2ccc(C(F)=C(F)C3CCC(/C=C/C)CC3)c(F)c2c(F)c1F
InChIInChI=1S/C24H23F5/c1-3-5-14-7-9-15(10-8-14)20(25)23(28)18-12-11-16-13-17(6-4-2)21(26)24(29)19(16)22(18)27/h3-6,11-15H,7-10H2,1-2H3/b5-3+,6-4+,23-20?
InChIKeyPPJFZDWIZWNIQP-CBQHUBSUSA-N
MW406.44 g/mol
LogP8.28
Rot. Bonds4

About 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene

7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene (PubChem CID 139863157) has the molecular formula C24H23F5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
PubChem CID139863157
Molecular FormulaC24H23F5
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Name7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1cc2ccc(C(F)=C(F)C3CCC(/C=C/C)CC3)c(F)c2c(F)c1F
InChIInChI=1S/C24H23F5/c1-3-5-14-7-9-15(10-8-14)20(25)23(28)18-12-11-16-13-17(6-4-2)21(26)24(29)19(16)22(18)27/h3-6,11-15H,7-10H2,1-2H3/b5-3+,6-4+,23-20?
InChIKeyPPJFZDWIZWNIQP-CBQHUBSUSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene (CID 139863157) is 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene is C/C=C/c1cc2ccc(C(F)=C(F)C3CCC(/C=C/C)CC3)c(F)c2c(F)c1F.
What is the InChIKey of 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
The InChIKey is PPJFZDWIZWNIQP-CBQHUBSUSA-N. The full InChI is InChI=1S/C24H23F5/c1-3-5-14-7-9-15(10-8-14)20(25)23(28)18-12-11-16-13-17(6-4-2)21(26)24(29)19(16)22(18)27/h3-6,11-15H,7-10H2,1-2H3/b5-3+,6-4+,23-20?.
What are the key properties of 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene has a molecular weight of 406.44 g/mol, XLogP of 8.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1,2-difluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139863157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).