(Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol

C8H14F2S — CID 129288006

IUPAC(Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol
SMILESCC(S)/C=C\C(F)(F)C(C)C
InChIInChI=1S/C8H14F2S/c1-6(2)8(9,10)5-4-7(3)11/h4-7,11H,1-3H3/b5-4-
InChIKeyHPJLBKUJDDDHMX-PLNGDYQASA-N
MW180.26 g/mol
LogP3.15
Rot. Bonds3

About (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol

(Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol (PubChem CID 129288006) has the molecular formula C8H14F2S and a molecular weight of 180.26 g/mol. Its IUPAC name is (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol.

Molecular Properties

Compound Name(Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol
PubChem CID129288006
Molecular FormulaC8H14F2S
Molecular Weight180.26 g/mol
Exact Mass180.08
IUPAC Name(Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol
SMILESCC(S)/C=C\C(F)(F)C(C)C
InChIInChI=1S/C8H14F2S/c1-6(2)8(9,10)5-4-7(3)11/h4-7,11H,1-3H3/b5-4-
InChIKeyHPJLBKUJDDDHMX-PLNGDYQASA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluorohex-4-ene-1-thiol
CID 123351213
(E)-1,1-difluoro-5-methyl-1-methylsulfanylhex-2-ene
CID 126735169
(E)-7,7-difluorooct-5-ene-2-thiol
CID 144463919
Trifluoro(3-methylhex-4-en-2-yl)-lambda4-sulfane
CID 146646129
(E)-1,1-difluoro-5-methylhex-2-ene-1-thiol
CID 147068950
(E)-3,3-difluoro-7-methyloct-4-ene-2-thiol
CID 148725120
(Z)-2-(trifluoromethyl)pent-3-ene-1-thiol
CID 163779527
(E)-4-(tert-butyldisulfanyl)-1,1,1-trifluoro-5-methylhex-2-ene
CID 169964886
5,5-Difluoro-6-methylhept-3-ene-2-thiol
CID 173696435
(2E,3Z,5Z)-2-ethylidene-5-(2,2,2-trifluoroethyl)hepta-3,5-diene-1-thiol
CID 143345615
(4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol
CID 143682823
(E)-3-methylhex-4-ene-2-thiol
CID 59956732

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol?
The IUPAC name of (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol (CID 129288006) is (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol.
What is the SMILES notation for (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol?
The canonical SMILES for (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol is CC(S)/C=C\C(F)(F)C(C)C.
What is the InChIKey of (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol?
The InChIKey is HPJLBKUJDDDHMX-PLNGDYQASA-N. The full InChI is InChI=1S/C8H14F2S/c1-6(2)8(9,10)5-4-7(3)11/h4-7,11H,1-3H3/b5-4-.
What are the key properties of (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol?
(Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol has a molecular weight of 180.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluoro-6-methylhept-3-ene-2-thiol is sourced from PubChem (CID 129288006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).