(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene

C7H12F2S — CID 155082560

IUPAC(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene
SMILESCSC(F)(F)/C=C/C(C)C
InChIInChI=1S/C7H12F2S/c1-6(2)4-5-7(8,9)10-3/h4-6H,1-3H3/b5-4+
InChIKeyQYKHBEZPFFJNSZ-SNAWJCMRSA-N
MW166.24 g/mol
LogP3.15
Rot. Bonds3

About (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene

(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene (PubChem CID 155082560) has the molecular formula C7H12F2S and a molecular weight of 166.24 g/mol. Its IUPAC name is (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene
PubChem CID155082560
Molecular FormulaC7H12F2S
Molecular Weight166.24 g/mol
Exact Mass166.06
IUPAC Name(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene
SMILESCSC(F)(F)/C=C/C(C)C
InChIInChI=1S/C7H12F2S/c1-6(2)4-5-7(8,9)10-3/h4-6H,1-3H3/b5-4+
InChIKeyQYKHBEZPFFJNSZ-SNAWJCMRSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.15
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

(E)-4,4,5,5,5-pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
CID 87187516
(Z)-1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 87187664
4,4,5,5,5-Pentafluoro-3-methyl-1-methylsulfanylpent-2-ene
CID 90919734
1-Methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91461096
(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene
CID 126735169
acetylene;(Z)-5,5,5-trifluoro-4-methyl-3-methylsulfanylpent-2-ene
CID 142856829
(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene
CID 142856958
(3Z)-2-methylsulfanyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 144530549
(E)-1,1-difluoro-1-methylsulfanylpent-2-ene
CID 147244810
(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol
CID 163779527
(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene
CID 166735861
(Z)-3-fluoro-4-methyl-1-methylsulfanylpent-2-ene
CID 169945465

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene?
The IUPAC name of (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene (CID 155082560) is (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene.
What is the SMILES notation for (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene?
The canonical SMILES for (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene is CSC(F)(F)/C=C/C(C)C.
What is the InChIKey of (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene?
The InChIKey is QYKHBEZPFFJNSZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12F2S/c1-6(2)4-5-7(8,9)10-3/h4-6H,1-3H3/b5-4+.
What are the key properties of (E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene?
(E)-1,1-difluoro-4-methyl-1-methylsulfanylpent-2-ene has a molecular weight of 166.24 g/mol, XLogP of 3.15, 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-4-methyl-1-methylsulfanylpent-2-ene is sourced from PubChem (CID 155082560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).