2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene

C30H34F4 — CID 138511411

IUPAC2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene
SMILESC/C=C/CCC1CCC(c2cc3c(c(F)c2F)-c2c(cc(C4CCCCC4)c(F)c2F)C3)CC1
InChIInChI=1S/C30H34F4/c1-2-3-5-8-18-11-13-20(14-12-18)24-17-22-15-21-16-23(19-9-6-4-7-10-19)27(31)29(33)25(21)26(22)30(34)28(24)32/h2-3,16-20H,4-15H2,1H3/b3-2+
InChIKeyGFRUFNVTYOUEAK-NSCUHMNNSA-N
MW470.59 g/mol
LogP9.49
Rot. Bonds5

About 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene

2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene (PubChem CID 138511411) has the molecular formula C30H34F4 and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene.

Molecular Properties

Compound Name2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene
PubChem CID138511411
Molecular FormulaC30H34F4
Molecular Weight470.59 g/mol
Exact Mass470.26
IUPAC Name2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene
SMILESC/C=C/CCC1CCC(c2cc3c(c(F)c2F)-c2c(cc(C4CCCCC4)c(F)c2F)C3)CC1
InChIInChI=1S/C30H34F4/c1-2-3-5-8-18-11-13-20(14-12-18)24-17-22-15-21-16-23(19-9-6-4-7-10-19)27(31)29(33)25(21)26(22)30(34)28(24)32/h2-3,16-20H,4-15H2,1H3/b3-2+
InChIKeyGFRUFNVTYOUEAK-NSCUHMNNSA-N
XLogP9.49
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 ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene with MolForge

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Related Compounds

2-cyclohexyl-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene
CID 126548736
3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene
CID 144909525
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 67730829
7,8-difluoro-6-[6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139865867
1-ethoxy-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 160550252
1-[4-[2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730875
2-[3-chloro-2-fluoro-4-[4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]cyclohexyl]phenyl]oxirane
CID 89046705
7,8-difluoro-6-[6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865741
1-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]phenyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161638
2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967142
1,2,3-trifluoro-5-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 67590146

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene?
The IUPAC name of 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene (CID 138511411) is 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene.
What is the SMILES notation for 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene?
The canonical SMILES for 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene is C/C=C/CCC1CCC(c2cc3c(c(F)c2F)-c2c(cc(C4CCCCC4)c(F)c2F)C3)CC1.
What is the InChIKey of 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene?
The InChIKey is GFRUFNVTYOUEAK-NSCUHMNNSA-N. The full InChI is InChI=1S/C30H34F4/c1-2-3-5-8-18-11-13-20(14-12-18)24-17-22-15-21-16-23(19-9-6-4-7-10-19)27(31)29(33)25(21)26(22)30(34)28(24)32/h2-3,16-20H,4-15H2,1H3/b3-2+.
What are the key properties of 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene?
2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene has a molecular weight of 470.59 g/mol, XLogP of 9.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,4,5,6-tetrafluoro-7-[4-[(E)-pent-3-enyl]cyclohexyl]-9H-fluorene is sourced from PubChem (CID 138511411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).