1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene

C19H25F5 — CID 18650649

IUPAC1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(C(F)(F)C(F)(F)F)CC2)cc1
InChIInChI=1S/C19H25F5/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(20,21)19(22,23)24/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeyKGWMXKKXYUZVLI-UHFFFAOYSA-N
MW348.40 g/mol
LogP6.89
Rot. Bonds6

About 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene

1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene (PubChem CID 18650649) has the molecular formula C19H25F5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene.

Molecular Properties

Compound Name1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene
PubChem CID18650649
Molecular FormulaC19H25F5
Molecular Weight348.40 g/mol
Exact Mass348.19
IUPAC Name1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene
SMILESCCCCCc1ccc(C2CCC(C(F)(F)C(F)(F)F)CC2)cc1
InChIInChI=1S/C19H25F5/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(20,21)19(22,23)24/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeyKGWMXKKXYUZVLI-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2,2-pentafluoroethyl)-4-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]benzene
CID 141052812
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene?
The IUPAC name of 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene (CID 18650649) is 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene.
What is the SMILES notation for 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene?
The canonical SMILES for 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene is CCCCCc1ccc(C2CCC(C(F)(F)C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene?
The InChIKey is KGWMXKKXYUZVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F5/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(20,21)19(22,23)24/h6-9,16-17H,2-5,10-13H2,1H3.
What are the key properties of 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene?
1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene has a molecular weight of 348.40 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene is sourced from PubChem (CID 18650649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).