6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran

C9H15FS — CID 67802537

IUPAC6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
SMILESCCC(C)C1=CCCC(F)S1
InChIInChI=1S/C9H15FS/c1-3-7(2)8-5-4-6-9(10)11-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyVMFPWRWIIVCTDN-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.74
Rot. Bonds2

About 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran

6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran (PubChem CID 67802537) has the molecular formula C9H15FS and a molecular weight of 174.28 g/mol. Its IUPAC name is 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
PubChem CID67802537
Molecular FormulaC9H15FS
Molecular Weight174.28 g/mol
Exact Mass174.09
IUPAC Name6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
SMILESCCC(C)C1=CCCC(F)S1
InChIInChI=1S/C9H15FS/c1-3-7(2)8-5-4-6-9(10)11-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyVMFPWRWIIVCTDN-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran (CID 67802537) is 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran is CCC(C)C1=CCCC(F)S1.
What is the InChIKey of 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran?
The InChIKey is VMFPWRWIIVCTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FS/c1-3-7(2)8-5-4-6-9(10)11-8/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran?
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran has a molecular weight of 174.28 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 67802537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).