2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene

C9H8BrFS — CID 84706062

IUPAC2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
SMILESFc1ccc(SC2CC2)c(Br)c1
InChIInChI=1S/C9H8BrFS/c10-8-5-6(11)1-4-9(8)12-7-2-3-7/h1,4-5,7H,2-3H2
InChIKeyYDJQTLMXNVUKEA-UHFFFAOYSA-N
MW247.13 g/mol
LogP3.84
Rot. Bonds2

About 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene

2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene (PubChem CID 84706062) has the molecular formula C9H8BrFS and a molecular weight of 247.13 g/mol. Its IUPAC name is 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
PubChem CID84706062
Molecular FormulaC9H8BrFS
Molecular Weight247.13 g/mol
Exact Mass245.95
IUPAC Name2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
SMILESFc1ccc(SC2CC2)c(Br)c1
InChIInChI=1S/C9H8BrFS/c10-8-5-6(11)1-4-9(8)12-7-2-3-7/h1,4-5,7H,2-3H2
InChIKeyYDJQTLMXNVUKEA-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-4-fluorophenyl)sulfanyloxetane
CID 162523954
[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methanol
CID 63835816
N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583
3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
CID 117463287
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672
1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
CID 63820015
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870
3-bromo-4-cyclohexylsulfanylbenzoic acid
CID 82802072
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
CID 82809229

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene?
The IUPAC name of 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene (CID 84706062) is 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene is Fc1ccc(SC2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene?
The InChIKey is YDJQTLMXNVUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFS/c10-8-5-6(11)1-4-9(8)12-7-2-3-7/h1,4-5,7H,2-3H2.
What are the key properties of 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene?
2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene has a molecular weight of 247.13 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene is sourced from PubChem (CID 84706062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).