7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol

C19H32F4S — CID 144809471

IUPAC7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol
SMILESC=C(C(C)CCC(C)C)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)S
InChIInChI=1S/C19H32F4S/c1-12(2)8-9-13(3)16(6)18(20,21)19(22,23)17(7)14(4)10-11-15(5)24/h12-15,24H,6-11H2,1-5H3
InChIKeyQBTVPRYKGVIPMU-UHFFFAOYSA-N
MW368.52 g/mol
LogP7.18
Rot. Bonds11

About 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol

7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol (PubChem CID 144809471) has the molecular formula C19H32F4S and a molecular weight of 368.52 g/mol. Its IUPAC name is 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol.

Molecular Properties

Compound Name7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol
PubChem CID144809471
Molecular FormulaC19H32F4S
Molecular Weight368.52 g/mol
Exact Mass368.22
IUPAC Name7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol
SMILESC=C(C(C)CCC(C)C)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)S
InChIInChI=1S/C19H32F4S/c1-12(2)8-9-13(3)16(6)18(20,21)19(22,23)17(7)14(4)10-11-15(5)24/h12-15,24H,6-11H2,1-5H3
InChIKeyQBTVPRYKGVIPMU-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol?
The IUPAC name of 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol (CID 144809471) is 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol.
What is the SMILES notation for 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol?
The canonical SMILES for 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol is C=C(C(C)CCC(C)C)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)S.
What is the InChIKey of 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol?
The InChIKey is QBTVPRYKGVIPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F4S/c1-12(2)8-9-13(3)16(6)18(20,21)19(22,23)17(7)14(4)10-11-15(5)24/h12-15,24H,6-11H2,1-5H3.
What are the key properties of 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol?
7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol has a molecular weight of 368.52 g/mol, XLogP of 7.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8-tetrafluoro-5,10,13-trimethyl-6,9-dimethylidenetetradecane-2-thiol is sourced from PubChem (CID 144809471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).