(E)-1,1-difluoro-1-methylsulfanylpent-2-ene

C6H10F2S — CID 147244810

IUPAC(E)-1,1-difluoro-1-methylsulfanylpent-2-ene
SMILESCC/C=C/C(F)(F)SC
InChIInChI=1S/C6H10F2S/c1-3-4-5-6(7,8)9-2/h4-5H,3H2,1-2H3/b5-4+
InChIKeyCLMLCMYRNZIEDW-SNAWJCMRSA-N
MW152.21 g/mol
LogP2.91
Rot. Bonds3

About (E)-1,1-difluoro-1-methylsulfanylpent-2-ene

(E)-1,1-difluoro-1-methylsulfanylpent-2-ene (PubChem CID 147244810) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is (E)-1,1-difluoro-1-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E)-1,1-difluoro-1-methylsulfanylpent-2-ene
PubChem CID147244810
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name(E)-1,1-difluoro-1-methylsulfanylpent-2-ene
SMILESCC/C=C/C(F)(F)SC
InChIInChI=1S/C6H10F2S/c1-3-4-5-6(7,8)9-2/h4-5H,3H2,1-2H3/b5-4+
InChIKeyCLMLCMYRNZIEDW-SNAWJCMRSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trifluoromethyl 4h thiopyran
CID 129814158
(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
CID 87187516
(E)-4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 87187640
(Z)-1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 87187664
(Z)-1-fluoro-5-methylsulfanylpent-2-ene
CID 89423732
4,4,5,5,5-Pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
CID 90919734
1-Methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91461096
4,4,5,5,6,6,6-Heptafluoro-1-methylsulfanylhex-2-ene
CID 91562919
1-Ethylsulfanyl-4,4,5,5,6,6,6-heptafluorohex-2-ene
CID 91599369
(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene
CID 126735169
1-(Trifluoromethylsulfanyl)hept-3-ene
CID 141487420
(3Z)-2-methylsulfanyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 144530549

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-1-methylsulfanylpent-2-ene?
The IUPAC name of (E)-1,1-difluoro-1-methylsulfanylpent-2-ene (CID 147244810) is (E)-1,1-difluoro-1-methylsulfanylpent-2-ene.
What is the SMILES notation for (E)-1,1-difluoro-1-methylsulfanylpent-2-ene?
The canonical SMILES for (E)-1,1-difluoro-1-methylsulfanylpent-2-ene is CC/C=C/C(F)(F)SC.
What is the InChIKey of (E)-1,1-difluoro-1-methylsulfanylpent-2-ene?
The InChIKey is CLMLCMYRNZIEDW-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10F2S/c1-3-4-5-6(7,8)9-2/h4-5H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-1,1-difluoro-1-methylsulfanylpent-2-ene?
(E)-1,1-difluoro-1-methylsulfanylpent-2-ene has a molecular weight of 152.21 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-1-methylsulfanylpent-2-ene is sourced from PubChem (CID 147244810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).