(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene

C8H14F2S — CID 126735169

IUPAC(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene
SMILESCSC(F)(F)/C=C/CC(C)C
InChIInChI=1S/C8H14F2S/c1-7(2)5-4-6-8(9,10)11-3/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyOLXQPKCERPARCB-GQCTYLIASA-N
MW180.26 g/mol
LogP3.54
Rot. Bonds4

About (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene

(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene (PubChem CID 126735169) has the molecular formula C8H14F2S and a molecular weight of 180.26 g/mol. Its IUPAC name is (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene.

Molecular Properties

Compound Name(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene
PubChem CID126735169
Molecular FormulaC8H14F2S
Molecular Weight180.26 g/mol
Exact Mass180.08
IUPAC Name(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene
SMILESCSC(F)(F)/C=C/CC(C)C
InChIInChI=1S/C8H14F2S/c1-7(2)5-4-6-8(9,10)11-3/h4,6-7H,5H2,1-3H3/b6-4+
InChIKeyOLXQPKCERPARCB-GQCTYLIASA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 53.54
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

2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
5-Methyl-2-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 88986577
1-(Trifluoromethylsulfanyl)hept-3-ene
CID 141487420
(Z)-5-fluoro-6-methyl-1-methylsulfanylhept-3-ene
CID 144197213
(E)-1,1-difluoro-5-methylhex-2-ene-1-thiol
CID 147068950
(E)-1,1-difluoro-1-methylsulfanylpent-2-ene
CID 147244810
(E)-3,3-difluoro-7-methyloct-4-ene-2-thiol
CID 148725120
1-[(E)-1,1-difluoro-5-methylhex-2-enyl]-1-methyldithiirane
CID 155073811
(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene
CID 155082560
(3E)-6-methyl-5-methylidene-3-(trifluoromethylsulfanyl)hepta-1,3-diene
CID 163393555
(3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene
CID 163393782
(E)-4-(tert-butyldisulfanyl)-1,1,1-trifluoro-5-methylhex-2-ene
CID 169964886

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene?
The IUPAC name of (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene (CID 126735169) is (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene.
What is the SMILES notation for (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene?
The canonical SMILES for (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene is CSC(F)(F)/C=C/CC(C)C.
What is the InChIKey of (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene?
The InChIKey is OLXQPKCERPARCB-GQCTYLIASA-N. The full InChI is InChI=1S/C8H14F2S/c1-7(2)5-4-6-8(9,10)11-3/h4,6-7H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene?
(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene has a molecular weight of 180.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene is sourced from PubChem (CID 126735169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).