hexan-2-yl thiohypofluorite

C6H13FS — CID 154931702

IUPAChexan-2-yl thiohypofluorite
SMILESCCCCC(C)SF
InChIInChI=1S/C6H13FS/c1-3-4-5-6(2)8-7/h6H,3-5H2,1-2H3
InChIKeyBCKDMNFSEQXGBO-UHFFFAOYSA-N
MW136.23 g/mol
LogP3.18
Rot. Bonds4

About hexan-2-yl thiohypofluorite

hexan-2-yl thiohypofluorite (PubChem CID 154931702) has the molecular formula C6H13FS and a molecular weight of 136.23 g/mol. Its IUPAC name is hexan-2-yl thiohypofluorite.

Molecular Properties

Compound Namehexan-2-yl thiohypofluorite
PubChem CID154931702
Molecular FormulaC6H13FS
Molecular Weight136.23 g/mol
Exact Mass136.07
IUPAC Namehexan-2-yl thiohypofluorite
SMILESCCCCC(C)SF
InChIInChI=1S/C6H13FS/c1-3-4-5-6(2)8-7/h6H,3-5H2,1-2H3
InChIKeyBCKDMNFSEQXGBO-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n-Butyl sulfonium fluoride
CID 118977569
Chloro-tetrafluoro-hexyl-lambda6-sulfane
CID 176437544
Hexyl thiohypofluorite
CID 59067997
6-Sulfanylhexyl thiohypofluorite
CID 59067999
Heptyl thiohypofluorite
CID 59366553
Pentafluoro(pentyl)-lambda6-sulfane
CID 87183785
Pentyl thiohypofluorite
CID 87665741
Trifluoro(pentyl)-lambda4-sulfane
CID 87899636
[(2R)-butan-2-yl] thiohypofluorite
CID 122692134
Butan-2-yl thiohypofluorite
CID 143749976
5-Fluorohexane-2-thiol
CID 144463817
1-Fluorohexane-2-thiol
CID 144463841

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl thiohypofluorite?
The IUPAC name of hexan-2-yl thiohypofluorite (CID 154931702) is hexan-2-yl thiohypofluorite.
What is the SMILES notation for hexan-2-yl thiohypofluorite?
The canonical SMILES for hexan-2-yl thiohypofluorite is CCCCC(C)SF.
What is the InChIKey of hexan-2-yl thiohypofluorite?
The InChIKey is BCKDMNFSEQXGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FS/c1-3-4-5-6(2)8-7/h6H,3-5H2,1-2H3.
What are the key properties of hexan-2-yl thiohypofluorite?
hexan-2-yl thiohypofluorite has a molecular weight of 136.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl thiohypofluorite is sourced from PubChem (CID 154931702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).