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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Related Compounds

5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775
3-(Difluoromethyl)-2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)cyclohexa-1,4-diene
CID 123833213
2-Fluoro-5-propan-2-yl-2,3-dihydrothiophene
CID 126565366
4-Fluoro-1-(2-fluoropropylsulfanyl)-2,5-dimethylcyclohexa-1,3-diene
CID 134569680
1-Fluoro-6-methyl-2-(propylsulfanylmethyl)cyclohexa-1,3-diene
CID 139457569
(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene
CID 142856958
(Z)-5-fluoro-6-methyl-1-methylsulfanylhept-3-ene
CID 144197213
1-Ethylsulfanyl-4-fluorocyclohexa-1,3-diene
CID 144390204
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
CID 147361574
2-(Ethylsulfanylmethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 156896275

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).