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

C30H20F4O2S3 — CID 71263176

IUPAC1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]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(C(=O)C(C)(F)F)cc5)s4)s3)s2)cc1
InChIInChI=1S/C30H20F4O2S3/c1-29(31,32)27(35)19-7-3-17(4-8-19)21-11-13-23(37-21)25-15-16-26(39-25)24-14-12-22(38-24)18-5-9-20(10-6-18)28(36)30(2,33)34/h3-16H,1-2H3
InChIKeyCPAKJHUSKVBWON-UHFFFAOYSA-N
MW584.68 g/mol
LogP10.21
Rot. Bonds8

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

1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one (PubChem CID 71263176) has the molecular formula C30H20F4O2S3 and a molecular weight of 584.68 g/mol. Its IUPAC name is 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one
PubChem CID71263176
Molecular FormulaC30H20F4O2S3
Molecular Weight584.68 g/mol
Exact Mass584.06
IUPAC Name1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]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(C(=O)C(C)(F)F)cc5)s4)s3)s2)cc1
InChIInChI=1S/C30H20F4O2S3/c1-29(31,32)27(35)19-7-3-17(4-8-19)21-11-13-23(37-21)25-15-16-26(39-25)24-14-12-22(38-24)18-5-9-20(10-6-18)28(36)30(2,33)34/h3-16H,1-2H3
InChIKeyCPAKJHUSKVBWON-UHFFFAOYSA-N
XLogP10.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]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-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The IUPAC name of 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one (CID 71263176) is 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]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-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The canonical SMILES for 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]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(C(=O)C(C)(F)F)cc5)s4)s3)s2)cc1.
What is the InChIKey of 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The InChIKey is CPAKJHUSKVBWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F4O2S3/c1-29(31,32)27(35)19-7-3-17(4-8-19)21-11-13-23(37-21)25-15-16-26(39-25)24-14-12-22(38-24)18-5-9-20(10-6-18)28(36)30(2,33)34/h3-16H,1-2H3.
What are the key properties of 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one has a molecular weight of 584.68 g/mol, XLogP of 10.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one is sourced from PubChem (CID 71263176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).