2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene

C37H34F6O2S2 — CID 10996052

IUPAC2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene
SMILESFC1(F)C(c2cc(-c3ccccc3)sc2OC2CCCCC2)=C(c2cc(-c3ccccc3)sc2OC2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C37H34F6O2S2/c38-35(39)31(27-21-29(23-13-5-1-6-14-23)46-33(27)44-25-17-9-3-10-18-25)32(36(40,41)37(35,42)43)28-22-30(24-15-7-2-8-16-24)47-34(28)45-26-19-11-4-12-20-26/h1-2,5-8,13-16,21-22,25-26H,3-4,9-12,17-20H2
InChIKeyDNJUUVTYZDXART-UHFFFAOYSA-N
MW688.80 g/mol
LogP12.40
Rot. Bonds8

About 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene

2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene (PubChem CID 10996052) has the molecular formula C37H34F6O2S2 and a molecular weight of 688.80 g/mol. Its IUPAC name is 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene.

Molecular Properties

Compound Name2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene
PubChem CID10996052
Molecular FormulaC37H34F6O2S2
Molecular Weight688.80 g/mol
Exact Mass688.19
IUPAC Name2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene
SMILESFC1(F)C(c2cc(-c3ccccc3)sc2OC2CCCCC2)=C(c2cc(-c3ccccc3)sc2OC2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C37H34F6O2S2/c38-35(39)31(27-21-29(23-13-5-1-6-14-23)46-33(27)44-25-17-9-3-10-18-25)32(36(40,41)37(35,42)43)28-22-30(24-15-7-2-8-16-24)47-34(28)45-26-19-11-4-12-20-26/h1-2,5-8,13-16,21-22,25-26H,3-4,9-12,17-20H2
InChIKeyDNJUUVTYZDXART-UHFFFAOYSA-N
XLogP12.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.80
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene?
The IUPAC name of 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene (CID 10996052) is 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene.
What is the SMILES notation for 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene?
The canonical SMILES for 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene is FC1(F)C(c2cc(-c3ccccc3)sc2OC2CCCCC2)=C(c2cc(-c3ccccc3)sc2OC2CCCCC2)C(F)(F)C1(F)F.
What is the InChIKey of 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene?
The InChIKey is DNJUUVTYZDXART-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F6O2S2/c38-35(39)31(27-21-29(23-13-5-1-6-14-23)46-33(27)44-25-17-9-3-10-18-25)32(36(40,41)37(35,42)43)28-22-30(24-15-7-2-8-16-24)47-34(28)45-26-19-11-4-12-20-26/h1-2,5-8,13-16,21-22,25-26H,3-4,9-12,17-20H2.
What are the key properties of 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene?
2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene has a molecular weight of 688.80 g/mol, XLogP of 12.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3-[2-(2-cyclohexyloxy-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-phenylthiophene is sourced from PubChem (CID 10996052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).