(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene

C10H15FS — CID 162749753

IUPAC(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene
SMILESC=C/C=C/CS/C(F)=C(\C)CC
InChIInChI=1S/C10H15FS/c1-4-6-7-8-12-10(11)9(3)5-2/h4,6-7H,1,5,8H2,2-3H3/b7-6+,10-9+
InChIKeyQEEQBGKYOFITSL-AVQMFFATSA-N
MW186.29 g/mol
LogP4.07
Rot. Bonds5

About (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene

(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene (PubChem CID 162749753) has the molecular formula C10H15FS and a molecular weight of 186.29 g/mol. Its IUPAC name is (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene
PubChem CID162749753
Molecular FormulaC10H15FS
Molecular Weight186.29 g/mol
Exact Mass186.09
IUPAC Name(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene
SMILESC=C/C=C/CS/C(F)=C(\C)CC
InChIInChI=1S/C10H15FS/c1-4-6-7-8-12-10(11)9(3)5-2/h4,6-7H,1,5,8H2,2-3H3/b7-6+,10-9+
InChIKeyQEEQBGKYOFITSL-AVQMFFATSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-methyl-2H-thiopyran
CID 18974596
10-Fluoro-4,7-dimethyl-5lambda6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
CID 90896513
4-Fluoro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123406958
2-fluoro-5-[(1E,3Z)-4-methylsulfanylpenta-1,3-dienyl]cyclohepta-1,3,5-triene
CID 132198726
(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
CID 138465199
3-Fluoro-4-(propylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 139457690
(3E)-3-methyl-4-(trifluoromethylsulfanyl)hexa-1,3,5-triene
CID 142106527
(3E,5E)-7,7,7-trifluoro-6-methyl-3-methylsulfanylhepta-1,3,5-triene
CID 142207218
ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene
CID 142207427
(3E)-3-[difluoro(propylsulfanyl)methyl]penta-1,3-diene;ethene
CID 143267537
6-fluoro-5-methyl-2H-thiopyran
CID 143781863
(3E)-4-fluoro-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 144403115

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene?
The IUPAC name of (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene (CID 162749753) is (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene.
What is the SMILES notation for (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene?
The canonical SMILES for (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene is C=C/C=C/CS/C(F)=C(\C)CC.
What is the InChIKey of (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene?
The InChIKey is QEEQBGKYOFITSL-AVQMFFATSA-N. The full InChI is InChI=1S/C10H15FS/c1-4-6-7-8-12-10(11)9(3)5-2/h4,6-7H,1,5,8H2,2-3H3/b7-6+,10-9+.
What are the key properties of (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene?
(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene has a molecular weight of 186.29 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene is sourced from PubChem (CID 162749753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).