2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene

C20H17FS — CID 170655035

IUPAC2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C4CC4)cc3)cc2F)s1
InChIInChI=1S/C20H17FS/c1-13-2-11-20(22-13)18-10-9-17(12-19(18)21)16-7-5-15(6-8-16)14-3-4-14/h2,5-12,14H,3-4H2,1H3
InChIKeyOTQIOQINLAHWIL-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.41
Rot. Bonds3

About 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene

2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene (PubChem CID 170655035) has the molecular formula C20H17FS and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene
PubChem CID170655035
Molecular FormulaC20H17FS
Molecular Weight308.42 g/mol
Exact Mass308.10
IUPAC Name2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C4CC4)cc3)cc2F)s1
InChIInChI=1S/C20H17FS/c1-13-2-11-20(22-13)18-10-9-17(12-19(18)21)16-7-5-15(6-8-16)14-3-4-14/h2,5-12,14H,3-4H2,1H3
InChIKeyOTQIOQINLAHWIL-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
CID 171813065
2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380811
4-[5-[4-(4-cyclopentylphenyl)-2-fluorophenyl]thiophen-2-yl]oxyoxane
CID 166999930
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2-[4-(4-ethylcyclohexa-1,3-dien-1-yl)-2-fluorophenyl]-5-methylthiophene
CID 177321080
S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
CID 145312714
1-(4-ethynylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 89374985
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
CID 59940195
CID 59940195
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene?
The IUPAC name of 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene (CID 170655035) is 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene.
What is the SMILES notation for 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene?
The canonical SMILES for 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene is Cc1ccc(-c2ccc(-c3ccc(C4CC4)cc3)cc2F)s1.
What is the InChIKey of 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene?
The InChIKey is OTQIOQINLAHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FS/c1-13-2-11-20(22-13)18-10-9-17(12-19(18)21)16-7-5-15(6-8-16)14-3-4-14/h2,5-12,14H,3-4H2,1H3.
What are the key properties of 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene?
2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene has a molecular weight of 308.42 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene is sourced from PubChem (CID 170655035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).