2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene

C30H34F4 — CID 163549197

IUPAC2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene
SMILESCCCc1cc2c(c(F)c1F)-c1c(cc(/C=C/C3CCC(C4CCCCC4)CC3)c(F)c1F)C2
InChIInChI=1S/C30H34F4/c1-2-6-21-15-23-17-24-16-22(28(32)30(34)26(24)25(23)29(33)27(21)31)14-11-18-9-12-20(13-10-18)19-7-4-3-5-8-19/h11,14-16,18-20H,2-10,12-13,17H2,1H3/b14-11+
InChIKeyFHPMDLJTVHYIIK-SDNWHVSQSA-N
MW470.59 g/mol
LogP9.17
Rot. Bonds5

About 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene

2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene (PubChem CID 163549197) has the molecular formula C30H34F4 and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene.

Molecular Properties

Compound Name2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene
PubChem CID163549197
Molecular FormulaC30H34F4
Molecular Weight470.59 g/mol
Exact Mass470.26
IUPAC Name2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene
SMILESCCCc1cc2c(c(F)c1F)-c1c(cc(/C=C/C3CCC(C4CCCCC4)CC3)c(F)c1F)C2
InChIInChI=1S/C30H34F4/c1-2-6-21-15-23-17-24-16-22(28(32)30(34)26(24)25(23)29(33)27(21)31)14-11-18-9-12-20(13-10-18)19-7-4-3-5-8-19/h11,14-16,18-20H,2-10,12-13,17H2,1H3/b14-11+
InChIKeyFHPMDLJTVHYIIK-SDNWHVSQSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene?
The IUPAC name of 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene (CID 163549197) is 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene.
What is the SMILES notation for 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene?
The canonical SMILES for 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene is CCCc1cc2c(c(F)c1F)-c1c(cc(/C=C/C3CCC(C4CCCCC4)CC3)c(F)c1F)C2.
What is the InChIKey of 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene?
The InChIKey is FHPMDLJTVHYIIK-SDNWHVSQSA-N. The full InChI is InChI=1S/C30H34F4/c1-2-6-21-15-23-17-24-16-22(28(32)30(34)26(24)25(23)29(33)27(21)31)14-11-18-9-12-20(13-10-18)19-7-4-3-5-8-19/h11,14-16,18-20H,2-10,12-13,17H2,1H3/b14-11+.
What are the key properties of 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene?
2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene has a molecular weight of 470.59 g/mol, XLogP of 9.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-cyclohexylcyclohexyl)ethenyl]-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene is sourced from PubChem (CID 163549197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).