(Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene

C10H12F8S — CID 13207106

IUPAC(Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene
SMILESCCCCSC/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F8S/c1-2-3-5-19-6-4-7(11)8(12,13)9(14,15)10(16,17)18/h4H,2-3,5-6H2,1H3/b7-4-
InChIKeyHREALCQLDPHGIF-DAXSKMNVSA-N
MW316.26 g/mol
LogP5.21
Rot. Bonds7

About (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene

(Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene (PubChem CID 13207106) has the molecular formula C10H12F8S and a molecular weight of 316.26 g/mol. Its IUPAC name is (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene.

Molecular Properties

Compound Name(Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene
PubChem CID13207106
Molecular FormulaC10H12F8S
Molecular Weight316.26 g/mol
Exact Mass316.05
IUPAC Name(Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene
SMILESCCCCSC/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F8S/c1-2-3-5-19-6-4-7(11)8(12,13)9(14,15)10(16,17)18/h4H,2-3,5-6H2,1H3/b7-4-
InChIKeyHREALCQLDPHGIF-DAXSKMNVSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Butylsulfanyl)-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 71429344
(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134896906
(E)-1-ethylsulfinyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134994716
6-(Trifluoromethyl)-3,4-dihydro-2 H-thiopyran
CID 162787527
2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene
CID 54529781
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
6-Ethylsulfanyl-1,1-difluorohex-1-ene
CID 90901673
3-Ethyl-4,4,5,5,5-pentafluoro-1-propylsulfanylpent-2-ene
CID 90955522
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
1-Ethylsulfanyl-4,4,5,5,6,6,6-heptafluoro-3-methylhex-2-ene
CID 91003034
3-Ethyl-4,4,5,5,6,6,6-heptafluoro-1-propylsulfanylhex-2-ene
CID 91064009
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078

Frequently Asked Questions

What is the IUPAC name of (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene?
The IUPAC name of (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene (CID 13207106) is (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene.
What is the SMILES notation for (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene?
The canonical SMILES for (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene is CCCCSC/C=C(\F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene?
The InChIKey is HREALCQLDPHGIF-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H12F8S/c1-2-3-5-19-6-4-7(11)8(12,13)9(14,15)10(16,17)18/h4H,2-3,5-6H2,1H3/b7-4-.
What are the key properties of (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene?
(Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene has a molecular weight of 316.26 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene is sourced from PubChem (CID 13207106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).