1-butan-2-ylsulfanyl-3-fluorobenzene

C10H13FS — CID 131103530

IUPAC1-butan-2-ylsulfanyl-3-fluorobenzene
SMILESCCC(C)Sc1cccc(F)c1
InChIInChI=1S/C10H13FS/c1-3-8(2)12-10-6-4-5-9(11)7-10/h4-8H,3H2,1-2H3
InChIKeyCKGBXXKDSYBTQF-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.72
Rot. Bonds3

About 1-butan-2-ylsulfanyl-3-fluorobenzene

1-butan-2-ylsulfanyl-3-fluorobenzene (PubChem CID 131103530) has the molecular formula C10H13FS and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-fluorobenzene.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-fluorobenzene
PubChem CID131103530
Molecular FormulaC10H13FS
Molecular Weight184.28 g/mol
Exact Mass184.07
IUPAC Name1-butan-2-ylsulfanyl-3-fluorobenzene
SMILESCCC(C)Sc1cccc(F)c1
InChIInChI=1S/C10H13FS/c1-3-8(2)12-10-6-4-5-9(11)7-10/h4-8H,3H2,1-2H3
InChIKeyCKGBXXKDSYBTQF-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine
CID 113247636
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
CID 63813206
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585182
4-[(2S)-butan-2-yl]sulfanyl-2-methylaniline
CID 51684097
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-butan-2-ylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004102
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
2-butan-2-ylsulfanyl-5-fluorobenzoic acid
CID 63674866
(3-fluorophenyl) thiohypobromite
CID 173469120

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-fluorobenzene?
The IUPAC name of 1-butan-2-ylsulfanyl-3-fluorobenzene (CID 131103530) is 1-butan-2-ylsulfanyl-3-fluorobenzene.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-fluorobenzene?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-fluorobenzene is CCC(C)Sc1cccc(F)c1.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-fluorobenzene?
The InChIKey is CKGBXXKDSYBTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FS/c1-3-8(2)12-10-6-4-5-9(11)7-10/h4-8H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-fluorobenzene?
1-butan-2-ylsulfanyl-3-fluorobenzene has a molecular weight of 184.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-fluorobenzene is sourced from PubChem (CID 131103530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).