2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene

C17H17F3S — CID 153380787

IUPAC2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene
SMILESCC1CCC(c2ccc(-c3ccc(F)s3)c(F)c2F)CC1
InChIInChI=1S/C17H17F3S/c1-10-2-4-11(5-3-10)12-6-7-13(17(20)16(12)19)14-8-9-15(18)21-14/h6-11H,2-5H2,1H3
InChIKeyOSLOHIYLXIAAGX-UHFFFAOYSA-N
MW310.38 g/mol
LogP6.13
Rot. Bonds2

About 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene

2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene (PubChem CID 153380787) has the molecular formula C17H17F3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene.

Molecular Properties

Compound Name2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene
PubChem CID153380787
Molecular FormulaC17H17F3S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene
SMILESCC1CCC(c2ccc(-c3ccc(F)s3)c(F)c2F)CC1
InChIInChI=1S/C17H17F3S/c1-10-2-4-11(5-3-10)12-6-7-13(17(20)16(12)19)14-8-9-15(18)21-14/h6-11H,2-5H2,1H3
InChIKeyOSLOHIYLXIAAGX-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.38
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380811
2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380823
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
CID 143909524
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
CID 159036951
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
1-ethenyl-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 90893098
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene?
The IUPAC name of 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene (CID 153380787) is 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene.
What is the SMILES notation for 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene?
The canonical SMILES for 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene is CC1CCC(c2ccc(-c3ccc(F)s3)c(F)c2F)CC1.
What is the InChIKey of 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene?
The InChIKey is OSLOHIYLXIAAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3S/c1-10-2-4-11(5-3-10)12-6-7-13(17(20)16(12)19)14-8-9-15(18)21-14/h6-11H,2-5H2,1H3.
What are the key properties of 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene?
2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene has a molecular weight of 310.38 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene is sourced from PubChem (CID 153380787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).