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

C17H18F2S — CID 153380811

IUPAC2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
SMILESCC1CCC(c2ccc(-c3ccc(F)s3)c(F)c2)CC1
InChIInChI=1S/C17H18F2S/c1-11-2-4-12(5-3-11)13-6-7-14(15(18)10-13)16-8-9-17(19)20-16/h6-12H,2-5H2,1H3
InChIKeyLBAHVELRFQFGIN-UHFFFAOYSA-N
MW292.39 g/mol
LogP5.99
Rot. Bonds2

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

2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene (PubChem CID 153380811) has the molecular formula C17H18F2S and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene.

Molecular Properties

Compound Name2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
PubChem CID153380811
Molecular FormulaC17H18F2S
Molecular Weight292.39 g/mol
Exact Mass292.11
IUPAC Name2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
SMILESCC1CCC(c2ccc(-c3ccc(F)s3)c(F)c2)CC1
InChIInChI=1S/C17H18F2S/c1-11-2-4-12(5-3-11)13-6-7-14(15(18)10-13)16-8-9-17(19)20-16/h6-12H,2-5H2,1H3
InChIKeyLBAHVELRFQFGIN-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.39
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380823
2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene
CID 153380787
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
CID 157087004
2-[4-(4-cyclopropylphenyl)-2-fluorophenyl]-5-methylthiophene
CID 170655035
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
1-(4-tert-butylphenyl)-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 91439286
2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene
CID 165070787
1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
CID 122609106
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene?
The IUPAC name of 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene (CID 153380811) is 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene.
What is the SMILES notation for 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene?
The canonical SMILES for 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene is CC1CCC(c2ccc(-c3ccc(F)s3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene?
The InChIKey is LBAHVELRFQFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2S/c1-11-2-4-12(5-3-11)13-6-7-14(15(18)10-13)16-8-9-17(19)20-16/h6-12H,2-5H2,1H3.
What are the key properties of 2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene?
2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene has a molecular weight of 292.39 g/mol, XLogP of 5.99, 2 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-methylcyclohexyl)phenyl]thiophene is sourced from PubChem (CID 153380811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).