4-benzyl-4-fluorothiane

C12H15FS — CID 84723196

IUPAC4-benzyl-4-fluorothiane
SMILESFC1(Cc2ccccc2)CCSCC1
InChIInChI=1S/C12H15FS/c13-12(6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyKFDBQDUEOMJFDF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds2

About 4-benzyl-4-fluorothiane

4-benzyl-4-fluorothiane (PubChem CID 84723196) has the molecular formula C12H15FS and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-benzyl-4-fluorothiane.

Molecular Properties

Compound Name4-benzyl-4-fluorothiane
PubChem CID84723196
Molecular FormulaC12H15FS
Molecular Weight210.32 g/mol
Exact Mass210.09
IUPAC Name4-benzyl-4-fluorothiane
SMILESFC1(Cc2ccccc2)CCSCC1
InChIInChI=1S/C12H15FS/c13-12(6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyKFDBQDUEOMJFDF-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-[(2-fluorophenyl)methyl]thiane
CID 84726026
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
3-[(3-fluorothiolan-3-yl)methyl]benzaldehyde
CID 84725533
2-[(3-fluorothiolan-3-yl)methyl]phenol
CID 84723422
4,4-dibenzyl-3,3-difluorooxetan-2-one
CID 10039731
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
4-[(1-fluorocyclopropyl)methyl]aniline
CID 84717040
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
(4-benzylsulfanylthian-4-yl)methanamine
CID 59136070
2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
CID 84722633
(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene
CID 138964298
CID 59886573
CID 59886573

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-fluorothiane?
The IUPAC name of 4-benzyl-4-fluorothiane (CID 84723196) is 4-benzyl-4-fluorothiane.
What is the SMILES notation for 4-benzyl-4-fluorothiane?
The canonical SMILES for 4-benzyl-4-fluorothiane is FC1(Cc2ccccc2)CCSCC1.
What is the InChIKey of 4-benzyl-4-fluorothiane?
The InChIKey is KFDBQDUEOMJFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FS/c13-12(6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 4-benzyl-4-fluorothiane?
4-benzyl-4-fluorothiane has a molecular weight of 210.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-fluorothiane is sourced from PubChem (CID 84723196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).