2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene

C30H32F4 — CID 144909615

IUPAC2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene
SMILESC=CCCC1CCC(C2CC=C(c3cc4c(c(F)c3F)-c3c(cc(C)c(F)c3F)C4)CC2)CC1
InChIInChI=1S/C30H32F4/c1-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-16-23-15-22-14-17(2)27(31)29(33)25(22)26(23)30(34)28(24)32/h3,12,14,16,18-20H,1,4-11,13,15H2,2H3
InChIKeySSEXXMMXIHLTFW-UHFFFAOYSA-N
MW468.58 g/mol
LogP9.08
Rot. Bonds5

About 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene

2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene (PubChem CID 144909615) has the molecular formula C30H32F4 and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene.

Molecular Properties

Compound Name2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene
PubChem CID144909615
Molecular FormulaC30H32F4
Molecular Weight468.58 g/mol
Exact Mass468.24
IUPAC Name2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene
SMILESC=CCCC1CCC(C2CC=C(c3cc4c(c(F)c3F)-c3c(cc(C)c(F)c3F)C4)CC2)CC1
InChIInChI=1S/C30H32F4/c1-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-16-23-15-22-14-17(2)27(31)29(33)25(22)26(23)30(34)28(24)32/h3,12,14,16,18-20H,1,4-11,13,15H2,2H3
InChIKeySSEXXMMXIHLTFW-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 67739727
4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2,3-difluorophenol
CID 89203747
2,3-difluoro-1-[4-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-4-methylbenzene
CID 76631882
1-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]-3-chloro-4-ethyl-2-fluorobenzene
CID 59257319
1-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-3-chloro-4-ethoxy-2-fluorobenzene
CID 59256952
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
2-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2-chloro-3-fluorophenyl]oxirane
CID 89077035
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782
1-[4-[4-(4-but-3-enylcyclohexen-1-yl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 67731705
1-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-nonoxybenzene
CID 67739766
1-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-hexoxybenzene
CID 67739355
2-[2,3-difluoro-4-[4-[4-[(E)-hept-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]oxirane
CID 89203836

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene?
The IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene (CID 144909615) is 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene.
What is the SMILES notation for 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene?
The canonical SMILES for 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene is C=CCCC1CCC(C2CC=C(c3cc4c(c(F)c3F)-c3c(cc(C)c(F)c3F)C4)CC2)CC1.
What is the InChIKey of 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene?
The InChIKey is SSEXXMMXIHLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F4/c1-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-16-23-15-22-14-17(2)27(31)29(33)25(22)26(23)30(34)28(24)32/h3,12,14,16,18-20H,1,4-11,13,15H2,2H3.
What are the key properties of 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene?
2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene has a molecular weight of 468.58 g/mol, XLogP of 9.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene is sourced from PubChem (CID 144909615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).