2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene

C19H16F2S — CID 58160698

IUPAC2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(F)s3)c(F)c2)cc1
InChIInChI=1S/C19H16F2S/c1-2-3-13-4-6-14(7-5-13)15-8-9-16(17(20)12-15)18-10-11-19(21)22-18/h4-12H,2-3H2,1H3
InChIKeyKYMQTFGBDMZXJP-UHFFFAOYSA-N
MW314.40 g/mol
LogP6.31
Rot. Bonds4

About 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene

2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene (PubChem CID 58160698) has the molecular formula C19H16F2S and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene.

Molecular Properties

Compound Name2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
PubChem CID58160698
Molecular FormulaC19H16F2S
Molecular Weight314.40 g/mol
Exact Mass314.09
IUPAC Name2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
SMILESCCCc1ccc(-c2ccc(-c3ccc(F)s3)c(F)c2)cc1
InChIInChI=1S/C19H16F2S/c1-2-3-13-4-6-14(7-5-13)15-8-9-16(17(20)12-15)18-10-11-19(21)22-18/h4-12H,2-3H2,1H3
InChIKeyKYMQTFGBDMZXJP-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.40
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyloxy-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene
CID 166999811
2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
CID 170655021
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2,6-difluoro-4-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]aniline
CID 134427958
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
2-(2-cyclopropylethyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
CID 166999874
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
1,2-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-3-iodobenzene
CID 122546409
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene?
The IUPAC name of 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene (CID 58160698) is 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene.
What is the SMILES notation for 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene?
The canonical SMILES for 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene is CCCc1ccc(-c2ccc(-c3ccc(F)s3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene?
The InChIKey is KYMQTFGBDMZXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2S/c1-2-3-13-4-6-14(7-5-13)15-8-9-16(17(20)12-15)18-10-11-19(21)22-18/h4-12H,2-3H2,1H3.
What are the key properties of 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene?
2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene has a molecular weight of 314.40 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]thiophene is sourced from PubChem (CID 58160698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).