1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene

C25H23F11 — CID 20539163

IUPAC1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C25H23F11/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(26,27)22(28,29)23(30,31)24(32,33)25(34,35)36/h7-16H,2-6H2,1H3
InChIKeyDMMHLXOWUWKAKC-UHFFFAOYSA-N
MW532.44 g/mol
LogP9.60
Rot. Bonds7

About 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene

1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene (PubChem CID 20539163) has the molecular formula C25H23F11 and a molecular weight of 532.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene
PubChem CID20539163
Molecular FormulaC25H23F11
Molecular Weight532.44 g/mol
Exact Mass532.16
IUPAC Name1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C25H23F11/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(26,27)22(28,29)23(30,31)24(32,33)25(34,35)36/h7-16H,2-6H2,1H3
InChIKeyDMMHLXOWUWKAKC-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.44
LogP ≤ 59.60
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-methylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]benzene
CID 20539281
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20539041
1-(1,1,2,2,2-pentafluoroethyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20539154
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)benzene
CID 18650539
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
1-(4-butylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene
CID 23188569
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene
CID 54084592
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
1-(4-butylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)phenyl]benzene
CID 20539009
1-(4-heptylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene
CID 23188588

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene (CID 20539163) is 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene is CCC1CCC(c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene?
The InChIKey is DMMHLXOWUWKAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F11/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(26,27)22(28,29)23(30,31)24(32,33)25(34,35)36/h7-16H,2-6H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene?
1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene has a molecular weight of 532.44 g/mol, XLogP of 9.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene is sourced from PubChem (CID 20539163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).