1,1-difluoro-5-methylsulfanylpent-1-ene

C6H10F2S — CID 87187693

IUPAC1,1-difluoro-5-methylsulfanylpent-1-ene
SMILESCSCCCC=C(F)F
InChIInChI=1S/C6H10F2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3
InChIKeyYKJWDWBJFONJQL-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.91
Rot. Bonds4

About 1,1-difluoro-5-methylsulfanylpent-1-ene

1,1-difluoro-5-methylsulfanylpent-1-ene (PubChem CID 87187693) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 1,1-difluoro-5-methylsulfanylpent-1-ene.

Molecular Properties

Compound Name1,1-difluoro-5-methylsulfanylpent-1-ene
PubChem CID87187693
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name1,1-difluoro-5-methylsulfanylpent-1-ene
SMILESCSCCCC=C(F)F
InChIInChI=1S/C6H10F2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3
InChIKeyYKJWDWBJFONJQL-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.91
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
1,1-Difluoro-7-methylsulfanylhept-1-ene
CID 87187624
1,1-Difluoro-4-methylsulfanylbut-1-ene
CID 87187655
1,1,2-Trifluoro-4-methylsulfanylbut-1-ene
CID 87187667
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
1,1-Difluoro-6-propylsulfanylhex-1-ene
CID 91131275
4-Ethylsulfanyl-1,1-difluorobut-1-ene
CID 91252705
5-Ethylsulfanyl-1,1-difluoropent-1-ene
CID 91425398
1,1-Difluoro-4-propylsulfanylbut-1-ene
CID 91540228

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methylsulfanylpent-1-ene?
The IUPAC name of 1,1-difluoro-5-methylsulfanylpent-1-ene (CID 87187693) is 1,1-difluoro-5-methylsulfanylpent-1-ene.
What is the SMILES notation for 1,1-difluoro-5-methylsulfanylpent-1-ene?
The canonical SMILES for 1,1-difluoro-5-methylsulfanylpent-1-ene is CSCCCC=C(F)F.
What is the InChIKey of 1,1-difluoro-5-methylsulfanylpent-1-ene?
The InChIKey is YKJWDWBJFONJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3.
What are the key properties of 1,1-difluoro-5-methylsulfanylpent-1-ene?
1,1-difluoro-5-methylsulfanylpent-1-ene has a molecular weight of 152.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methylsulfanylpent-1-ene is sourced from PubChem (CID 87187693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).