1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene

C10H11FS — CID 131238678

IUPAC1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene
SMILESC/C=C/CSc1ccccc1F
InChIInChI=1S/C10H11FS/c1-2-3-8-12-10-7-5-4-6-9(10)11/h2-7H,8H2,1H3/b3-2+
InChIKeyBLFLHINVSZIZLZ-NSCUHMNNSA-N
MW182.26 g/mol
LogP3.49
Rot. Bonds3

About 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene

1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene (PubChem CID 131238678) has the molecular formula C10H11FS and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene
PubChem CID131238678
Molecular FormulaC10H11FS
Molecular Weight182.26 g/mol
Exact Mass182.06
IUPAC Name1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene
SMILESC/C=C/CSc1ccccc1F
InChIInChI=1S/C10H11FS/c1-2-3-8-12-10-7-5-4-6-9(10)11/h2-7H,8H2,1H3/b3-2+
InChIKeyBLFLHINVSZIZLZ-NSCUHMNNSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorobut-2-enylsulfanyl)-2-fluorobenzene
CID 77051168
1-[(E)-but-2-enyl]sulfanyl-2-methylbenzene
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3-[(E)-but-2-enyl]sulfanyl-4-fluorobenzoic acid
CID 80556531
ethane;1-fluoro-2-methylsulfanylbenzene
CID 143031250
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
2-but-2-enylsulfanyl-5-(trifluoromethyl)aniline
CID 74860130
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
1-(2-fluorophenyl)sulfanyl-N-methylbut-3-en-2-amine
CID 66053663
1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
CID 60593855
2-(2-fluorophenyl)sulfanylethanethioamide
CID 66051849
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene?
The IUPAC name of 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene (CID 131238678) is 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene.
What is the SMILES notation for 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene?
The canonical SMILES for 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene is C/C=C/CSc1ccccc1F.
What is the InChIKey of 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene?
The InChIKey is BLFLHINVSZIZLZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11FS/c1-2-3-8-12-10-7-5-4-6-9(10)11/h2-7H,8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene?
1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene has a molecular weight of 182.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene is sourced from PubChem (CID 131238678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).