1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene

C24H27F3 — CID 12069695

IUPAC1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene
SMILESCCCCCC1CCC(c2ccc3c(c2)Cc2c-3cc(F)c(F)c2F)CC1
InChIInChI=1S/C24H27F3/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19-18(12-17)13-21-20(19)14-22(25)24(27)23(21)26/h10-12,14-16H,2-9,13H2,1H3
InChIKeyMDXUAKWRVGCPEP-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.53
Rot. Bonds5

About 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene

1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene (PubChem CID 12069695) has the molecular formula C24H27F3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene.

Molecular Properties

Compound Name1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene
PubChem CID12069695
Molecular FormulaC24H27F3
Molecular Weight372.47 g/mol
Exact Mass372.21
IUPAC Name1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene
SMILESCCCCCC1CCC(c2ccc3c(c2)Cc2c-3cc(F)c(F)c2F)CC1
InChIInChI=1S/C24H27F3/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19-18(12-17)13-21-20(19)14-22(25)24(27)23(21)26/h10-12,14-16H,2-9,13H2,1H3
InChIKeyMDXUAKWRVGCPEP-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
6,7,8-trifluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139952238
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-(4-nonylcyclohexyl)phenyl]benzene
CID 59874071
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
CID 145234992

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene?
The IUPAC name of 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene (CID 12069695) is 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene.
What is the SMILES notation for 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene?
The canonical SMILES for 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene is CCCCCC1CCC(c2ccc3c(c2)Cc2c-3cc(F)c(F)c2F)CC1.
What is the InChIKey of 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene?
The InChIKey is MDXUAKWRVGCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19-18(12-17)13-21-20(19)14-22(25)24(27)23(21)26/h10-12,14-16H,2-9,13H2,1H3.
What are the key properties of 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene?
1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene has a molecular weight of 372.47 g/mol, XLogP of 7.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-7-(4-pentylcyclohexyl)-9H-fluorene is sourced from PubChem (CID 12069695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).