4-(2-bromophenyl)-4-fluorothiane

C11H12BrFS — CID 84730258

IUPAC4-(2-bromophenyl)-4-fluorothiane
SMILESFC1(c2ccccc2Br)CCSCC1
InChIInChI=1S/C11H12BrFS/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4H,5-8H2
InChIKeyMSSYRTXDKZRQIV-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.14
Rot. Bonds1

About 4-(2-bromophenyl)-4-fluorothiane

4-(2-bromophenyl)-4-fluorothiane (PubChem CID 84730258) has the molecular formula C11H12BrFS and a molecular weight of 275.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)-4-fluorothiane.

Molecular Properties

Compound Name4-(2-bromophenyl)-4-fluorothiane
PubChem CID84730258
Molecular FormulaC11H12BrFS
Molecular Weight275.19 g/mol
Exact Mass273.98
IUPAC Name4-(2-bromophenyl)-4-fluorothiane
SMILESFC1(c2ccccc2Br)CCSCC1
InChIInChI=1S/C11H12BrFS/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4H,5-8H2
InChIKeyMSSYRTXDKZRQIV-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(2-bromophenyl)-4-fluorothiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-2,3,3-trifluorothiirane
CID 151869522
5-bromo-2-(4-fluorothian-4-yl)pyridine
CID 170987099
(3S)-3-(2-bromophenyl)thian-3-ol
CID 125041514
1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
CID 84729594
1-bromo-2-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047981
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
1-bromo-2-(1-methylcyclohexyl)benzene
CID 131090981
2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine
CID 115052625
4-(2-bromoanilino)thiane-4-carbonitrile
CID 61317585
N'-[[1-(2-bromophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 111818716
1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
CID 115049925

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-4-fluorothiane?
The IUPAC name of 4-(2-bromophenyl)-4-fluorothiane (CID 84730258) is 4-(2-bromophenyl)-4-fluorothiane.
What is the SMILES notation for 4-(2-bromophenyl)-4-fluorothiane?
The canonical SMILES for 4-(2-bromophenyl)-4-fluorothiane is FC1(c2ccccc2Br)CCSCC1.
What is the InChIKey of 4-(2-bromophenyl)-4-fluorothiane?
The InChIKey is MSSYRTXDKZRQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFS/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4H,5-8H2.
What are the key properties of 4-(2-bromophenyl)-4-fluorothiane?
4-(2-bromophenyl)-4-fluorothiane has a molecular weight of 275.19 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-4-fluorothiane is sourced from PubChem (CID 84730258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).