(Z)-5,5-difluorodec-3-ene-2-thiol

C10H18F2S — CID 153294078

IUPAC(Z)-5,5-difluorodec-3-ene-2-thiol
SMILESCCCCCC(F)(F)/C=C\C(C)S
InChIInChI=1S/C10H18F2S/c1-3-4-5-7-10(11,12)8-6-9(2)13/h6,8-9,13H,3-5,7H2,1-2H3/b8-6-
InChIKeyZUUXRIJSUUYXFE-VURMDHGXSA-N
MW208.32 g/mol
LogP4.08
Rot. Bonds6

About (Z)-5,5-difluorodec-3-ene-2-thiol

(Z)-5,5-difluorodec-3-ene-2-thiol (PubChem CID 153294078) has the molecular formula C10H18F2S and a molecular weight of 208.32 g/mol. Its IUPAC name is (Z)-5,5-difluorodec-3-ene-2-thiol.

Molecular Properties

Compound Name(Z)-5,5-difluorodec-3-ene-2-thiol
PubChem CID153294078
Molecular FormulaC10H18F2S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name(Z)-5,5-difluorodec-3-ene-2-thiol
SMILESCCCCCC(F)(F)/C=C\C(C)S
InChIInChI=1S/C10H18F2S/c1-3-4-5-7-10(11,12)8-6-9(2)13/h6,8-9,13H,3-5,7H2,1-2H3/b8-6-
InChIKeyZUUXRIJSUUYXFE-VURMDHGXSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7,7-Difluorohept-2-ene-1-thiol
CID 91403533
2,2-Difluorohex-4-ene-1-thiol
CID 123351213
(2S)-1-(3,3-difluorocyclohexen-1-yl)propane-2-thiol
CID 138752560
11-(Trifluoromethylsulfanyl)undec-5-ene
CID 141487433
10-(Trifluoromethylsulfanyl)dec-4-ene
CID 141487434
(E)-7,7-difluorooct-5-ene-2-thiol
CID 144463919
4,4,5,5,6,6,7,7,8,8,9,9,12,12,13,13,14,14,15,15,15-Henicosafluoropentadec-10-ene-1-thiol
CID 155660596
(E)-oct-2-ene-1-thiol
CID 13779409
(E)-dec-4-ene-1-thiol
CID 101395043
(E,5R)-dec-6-ene-5-thiol
CID 134960876
(E)-dec-3-ene-1-thiol
CID 20397947
(E)-dec-2-ene-1-thiol
CID 20398040

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-difluorodec-3-ene-2-thiol?
The IUPAC name of (Z)-5,5-difluorodec-3-ene-2-thiol (CID 153294078) is (Z)-5,5-difluorodec-3-ene-2-thiol.
What is the SMILES notation for (Z)-5,5-difluorodec-3-ene-2-thiol?
The canonical SMILES for (Z)-5,5-difluorodec-3-ene-2-thiol is CCCCCC(F)(F)/C=C\C(C)S.
What is the InChIKey of (Z)-5,5-difluorodec-3-ene-2-thiol?
The InChIKey is ZUUXRIJSUUYXFE-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18F2S/c1-3-4-5-7-10(11,12)8-6-9(2)13/h6,8-9,13H,3-5,7H2,1-2H3/b8-6-.
What are the key properties of (Z)-5,5-difluorodec-3-ene-2-thiol?
(Z)-5,5-difluorodec-3-ene-2-thiol has a molecular weight of 208.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluorodec-3-ene-2-thiol is sourced from PubChem (CID 153294078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).