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

C26H18F4O2S2 — CID 71263178

IUPAC1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(C)(F)F)cc4)s3)s2)cc1
InChIInChI=1S/C26H18F4O2S2/c1-25(27,28)23(31)17-7-3-15(4-8-17)19-11-13-21(33-19)22-14-12-20(34-22)16-5-9-18(10-6-16)24(32)26(2,29)30/h3-14H,1-2H3
InChIKeyYODYHGLRHCPGKM-UHFFFAOYSA-N
MW502.55 g/mol
LogP8.49
Rot. Bonds7

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

1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one (PubChem CID 71263178) has the molecular formula C26H18F4O2S2 and a molecular weight of 502.55 g/mol. Its IUPAC name is 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one
PubChem CID71263178
Molecular FormulaC26H18F4O2S2
Molecular Weight502.55 g/mol
Exact Mass502.07
IUPAC Name1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(C)(F)F)cc4)s3)s2)cc1
InChIInChI=1S/C26H18F4O2S2/c1-25(27,28)23(31)17-7-3-15(4-8-17)19-11-13-21(33-19)22-14-12-20(34-22)16-5-9-18(10-6-16)24(32)26(2,29)30/h3-14H,1-2H3
InChIKeyYODYHGLRHCPGKM-UHFFFAOYSA-N
XLogP8.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.55
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The IUPAC name of 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one (CID 71263178) is 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The canonical SMILES for 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one is CC(F)(F)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(C)(F)F)cc4)s3)s2)cc1.
What is the InChIKey of 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
The InChIKey is YODYHGLRHCPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4O2S2/c1-25(27,28)23(31)17-7-3-15(4-8-17)19-11-13-21(33-19)22-14-12-20(34-22)16-5-9-18(10-6-16)24(32)26(2,29)30/h3-14H,1-2H3.
What are the key properties of 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one?
1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one has a molecular weight of 502.55 g/mol, XLogP of 8.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-[4-(2,2-difluoropropanoyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-2,2-difluoropropan-1-one is sourced from PubChem (CID 71263178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).