2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene

C22H20F2OS — CID 174171984

IUPAC2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
SMILESCc1ccc(-c2cc(F)c(-c3ccc(OC4CCCC4)s3)c(F)c2)cc1
InChIInChI=1S/C22H20F2OS/c1-14-6-8-15(9-7-14)16-12-18(23)22(19(24)13-16)20-10-11-21(26-20)25-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3
InChIKeyLUYRQVWATGQGKF-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.99
Rot. Bonds4

About 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene

2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene (PubChem CID 174171984) has the molecular formula C22H20F2OS and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene.

Molecular Properties

Compound Name2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
PubChem CID174171984
Molecular FormulaC22H20F2OS
Molecular Weight370.46 g/mol
Exact Mass370.12
IUPAC Name2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
SMILESCc1ccc(-c2cc(F)c(-c3ccc(OC4CCCC4)s3)c(F)c2)cc1
InChIInChI=1S/C22H20F2OS/c1-14-6-8-15(9-7-14)16-12-18(23)22(19(24)13-16)20-10-11-21(26-20)25-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3
InChIKeyLUYRQVWATGQGKF-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
The IUPAC name of 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene (CID 174171984) is 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene.
What is the SMILES notation for 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
The canonical SMILES for 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene is Cc1ccc(-c2cc(F)c(-c3ccc(OC4CCCC4)s3)c(F)c2)cc1.
What is the InChIKey of 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
The InChIKey is LUYRQVWATGQGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2OS/c1-14-6-8-15(9-7-14)16-12-18(23)22(19(24)13-16)20-10-11-21(26-20)25-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3.
What are the key properties of 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene?
2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene has a molecular weight of 370.46 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene is sourced from PubChem (CID 174171984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).