1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one

C34H22F4O2S4 — CID 71263177

IUPAC1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)C(C)(F)F)cc6)s5)s4)s3)s2)cc1
InChIInChI=1S/C34H22F4O2S4/c1-33(35,36)31(39)21-7-3-19(4-8-21)23-11-13-25(41-23)27-15-17-29(43-27)30-18-16-28(44-30)26-14-12-24(42-26)20-5-9-22(10-6-20)32(40)34(2,37)38/h3-18H,1-2H3
InChIKeySWBPMZPLNVGQES-UHFFFAOYSA-N
MW666.81 g/mol
LogP11.94
Rot. Bonds9

About 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one

1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one (PubChem CID 71263177) has the molecular formula C34H22F4O2S4 and a molecular weight of 666.81 g/mol. Its IUPAC name is 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one
PubChem CID71263177
Molecular FormulaC34H22F4O2S4
Molecular Weight666.81 g/mol
Exact Mass666.04
IUPAC Name1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)C(C)(F)F)cc6)s5)s4)s3)s2)cc1
InChIInChI=1S/C34H22F4O2S4/c1-33(35,36)31(39)21-7-3-19(4-8-21)23-11-13-25(41-23)27-15-17-29(43-27)30-18-16-28(44-30)26-14-12-24(42-26)20-5-9-22(10-6-20)32(40)34(2,37)38/h3-18H,1-2H3
InChIKeySWBPMZPLNVGQES-UHFFFAOYSA-N
XLogP11.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.81
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The IUPAC name of 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one (CID 71263177) is 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The canonical SMILES for 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one is CC(F)(F)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)C(C)(F)F)cc6)s5)s4)s3)s2)cc1.
What is the InChIKey of 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The InChIKey is SWBPMZPLNVGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F4O2S4/c1-33(35,36)31(39)21-7-3-19(4-8-21)23-11-13-25(41-23)27-15-17-29(43-27)30-18-16-28(44-30)26-14-12-24(42-26)20-5-9-22(10-6-20)32(40)34(2,37)38/h3-18H,1-2H3.
What are the key properties of 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one has a molecular weight of 666.81 g/mol, XLogP of 11.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one is sourced from PubChem (CID 71263177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).