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

C17H19FS — CID 153380823

IUPAC2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
SMILESCC1CCC(c2ccc(-c3ccc(F)s3)cc2)CC1
InChIInChI=1S/C17H19FS/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(18)19-16/h6-13H,2-5H2,1H3
InChIKeyXAJKGYSWJDJGSJ-UHFFFAOYSA-N
MW274.40 g/mol
LogP5.85
Rot. Bonds2

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

2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene (PubChem CID 153380823) has the molecular formula C17H19FS and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene.

Molecular Properties

Compound Name2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
PubChem CID153380823
Molecular FormulaC17H19FS
Molecular Weight274.40 g/mol
Exact Mass274.12
IUPAC Name2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
SMILESCC1CCC(c2ccc(-c3ccc(F)s3)cc2)CC1
InChIInChI=1S/C17H19FS/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(18)19-16/h6-13H,2-5H2,1H3
InChIKeyXAJKGYSWJDJGSJ-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380811
2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene
CID 153380787
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene?
The IUPAC name of 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene (CID 153380823) is 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene.
What is the SMILES notation for 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene?
The canonical SMILES for 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene is CC1CCC(c2ccc(-c3ccc(F)s3)cc2)CC1.
What is the InChIKey of 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene?
The InChIKey is XAJKGYSWJDJGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FS/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(18)19-16/h6-13H,2-5H2,1H3.
What are the key properties of 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene?
2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene has a molecular weight of 274.40 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene is sourced from PubChem (CID 153380823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).