1,1-difluoro-4-methylsulfanylbut-1-ene

C5H8F2S — CID 87187655

IUPAC1,1-difluoro-4-methylsulfanylbut-1-ene
SMILESCSCCC=C(F)F
InChIInChI=1S/C5H8F2S/c1-8-4-2-3-5(6)7/h3H,2,4H2,1H3
InChIKeyUKKXLXLZMZQHGJ-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.52
Rot. Bonds3

About 1,1-difluoro-4-methylsulfanylbut-1-ene

1,1-difluoro-4-methylsulfanylbut-1-ene (PubChem CID 87187655) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 1,1-difluoro-4-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name1,1-difluoro-4-methylsulfanylbut-1-ene
PubChem CID87187655
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name1,1-difluoro-4-methylsulfanylbut-1-ene
SMILESCSCCC=C(F)F
InChIInChI=1S/C5H8F2S/c1-8-4-2-3-5(6)7/h3H,2,4H2,1H3
InChIKeyUKKXLXLZMZQHGJ-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Ethylsulfanyl-1,1,2-trifluorobut-1-ene
CID 59154820
3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1,1-Difluoro-7-methylsulfanylhept-1-ene
CID 87187624
1,1,2-Trifluoro-4-methylsulfanylbut-1-ene
CID 87187667
1,1-Difluoro-5-methylsulfanylpent-1-ene
CID 87187693
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
1,1-Difluoro-6-methylsulfanylhex-1-ene
CID 87187897
1,1,2-Trifluoro-4-propylsulfanylbut-1-ene
CID 90743974
6-Ethylsulfanyl-1,1-difluorohex-1-ene
CID 90901673
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
4-Ethylsulfanyl-1,1-difluorobut-1-ene
CID 91252705
5-Ethylsulfanyl-1,1-difluoropent-1-ene
CID 91425398

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylsulfanylbut-1-ene?
The IUPAC name of 1,1-difluoro-4-methylsulfanylbut-1-ene (CID 87187655) is 1,1-difluoro-4-methylsulfanylbut-1-ene.
What is the SMILES notation for 1,1-difluoro-4-methylsulfanylbut-1-ene?
The canonical SMILES for 1,1-difluoro-4-methylsulfanylbut-1-ene is CSCCC=C(F)F.
What is the InChIKey of 1,1-difluoro-4-methylsulfanylbut-1-ene?
The InChIKey is UKKXLXLZMZQHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c1-8-4-2-3-5(6)7/h3H,2,4H2,1H3.
What are the key properties of 1,1-difluoro-4-methylsulfanylbut-1-ene?
1,1-difluoro-4-methylsulfanylbut-1-ene has a molecular weight of 138.18 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylsulfanylbut-1-ene is sourced from PubChem (CID 87187655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).