1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene

C27H34F4 — CID 23188569

IUPAC1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)C(F)(F)CCC)cc3)cc2)CC1
InChIInChI=1S/C27H34F4/c1-3-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17-25(18-16-24)27(30,31)26(28,29)19-4-2/h11-18,20-21H,3-10,19H2,1-2H3
InChIKeyHYJFLEVORFQBJA-UHFFFAOYSA-N
MW434.56 g/mol
LogP9.34
Rot. Bonds9

About 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene

1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene (PubChem CID 23188569) has the molecular formula C27H34F4 and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene
PubChem CID23188569
Molecular FormulaC27H34F4
Molecular Weight434.56 g/mol
Exact Mass434.26
IUPAC Name1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)C(F)(F)CCC)cc3)cc2)CC1
InChIInChI=1S/C27H34F4/c1-3-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17-25(18-16-24)27(30,31)26(28,29)19-4-2/h11-18,20-21H,3-10,19H2,1-2H3
InChIKeyHYJFLEVORFQBJA-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-heptylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene
CID 23188588
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(1,1,2,2-tetrafluoropentyl)benzene
CID 23188474
1-(1,1,2,2,2-pentafluoroethyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20539154
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20539041
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoroethyl)phenyl]benzene
CID 23188504
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene (CID 23188569) is 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene is CCCCC1CCC(c2ccc(-c3ccc(C(F)(F)C(F)(F)CCC)cc3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene?
The InChIKey is HYJFLEVORFQBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F4/c1-3-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17-25(18-16-24)27(30,31)26(28,29)19-4-2/h11-18,20-21H,3-10,19H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene?
1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene has a molecular weight of 434.56 g/mol, XLogP of 9.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene is sourced from PubChem (CID 23188569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).