2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene

C12H15FS — CID 169167234

IUPAC2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene
SMILESC=CSc1cccc(F)c1C(C)CC
InChIInChI=1S/C12H15FS/c1-4-9(3)12-10(13)7-6-8-11(12)14-5-2/h5-9H,2,4H2,1,3H3
InChIKeyIAGUPTFOZLTRIK-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.57
Rot. Bonds4

About 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene

2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene (PubChem CID 169167234) has the molecular formula C12H15FS and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene.

Molecular Properties

Compound Name2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene
PubChem CID169167234
Molecular FormulaC12H15FS
Molecular Weight210.32 g/mol
Exact Mass210.09
IUPAC Name2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene
SMILESC=CSc1cccc(F)c1C(C)CC
InChIInChI=1S/C12H15FS/c1-4-9(3)12-10(13)7-6-8-11(12)14-5-2/h5-9H,2,4H2,1,3H3
InChIKeyIAGUPTFOZLTRIK-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-1,3-difluorobenzene
CID 56605716
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
butan-2-one;2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene;(6-chloro-2,3-dihydropyridin-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169167624
1-(2-fluoro-6-pentylsulfanylphenyl)ethanamine
CID 107750658
1-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-3-fluorobenzene
CID 114560623
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
CID 43189262
2-[bromo-(4-butan-2-ylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 63438382
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
2-[(4-butan-2-ylphenoxy)-methoxymethyl]-1,3-difluorobenzene
CID 176636669
2-[bromo-(4-butan-2-ylphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65433869
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene?
The IUPAC name of 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene (CID 169167234) is 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene.
What is the SMILES notation for 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene?
The canonical SMILES for 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene is C=CSc1cccc(F)c1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene?
The InChIKey is IAGUPTFOZLTRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FS/c1-4-9(3)12-10(13)7-6-8-11(12)14-5-2/h5-9H,2,4H2,1,3H3.
What are the key properties of 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene?
2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene has a molecular weight of 210.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene is sourced from PubChem (CID 169167234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).