2-(3-fluoro-5-propan-2-ylphenyl)thiophene

C13H13FS — CID 167222834

IUPAC2-(3-fluoro-5-propan-2-ylphenyl)thiophene
SMILESCC(C)c1cc(F)cc(-c2cccs2)c1
InChIInChI=1S/C13H13FS/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h3-9H,1-2H3
InChIKeyPRHRFXKXZHLILJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.68
Rot. Bonds2

About 2-(3-fluoro-5-propan-2-ylphenyl)thiophene

2-(3-fluoro-5-propan-2-ylphenyl)thiophene (PubChem CID 167222834) has the molecular formula C13H13FS and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(3-fluoro-5-propan-2-ylphenyl)thiophene.

Molecular Properties

Compound Name2-(3-fluoro-5-propan-2-ylphenyl)thiophene
PubChem CID167222834
Molecular FormulaC13H13FS
Molecular Weight220.31 g/mol
Exact Mass220.07
IUPAC Name2-(3-fluoro-5-propan-2-ylphenyl)thiophene
SMILESCC(C)c1cc(F)cc(-c2cccs2)c1
InChIInChI=1S/C13H13FS/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h3-9H,1-2H3
InChIKeyPRHRFXKXZHLILJ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-propan-2-ylphenyl)thiophene
CID 57011596
2-(3-fluorophenyl)thiophene
CID 22486407
(3-fluoro-5-thiophen-2-ylphenyl)methanol
CID 138319777
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
CID 14202028
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(3,5-dibromophenyl)thiophene
CID 19006176
2-fluoro-1-methyl-4-thiophen-2-ylpyrrole
CID 175124499
5-propan-2-yl-2-thiophen-2-yl-1,3-benzoxazol-7-amine
CID 82095460
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)thiophene?
The IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)thiophene (CID 167222834) is 2-(3-fluoro-5-propan-2-ylphenyl)thiophene.
What is the SMILES notation for 2-(3-fluoro-5-propan-2-ylphenyl)thiophene?
The canonical SMILES for 2-(3-fluoro-5-propan-2-ylphenyl)thiophene is CC(C)c1cc(F)cc(-c2cccs2)c1.
What is the InChIKey of 2-(3-fluoro-5-propan-2-ylphenyl)thiophene?
The InChIKey is PRHRFXKXZHLILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FS/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h3-9H,1-2H3.
What are the key properties of 2-(3-fluoro-5-propan-2-ylphenyl)thiophene?
2-(3-fluoro-5-propan-2-ylphenyl)thiophene has a molecular weight of 220.31 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-propan-2-ylphenyl)thiophene is sourced from PubChem (CID 167222834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).