4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol

C10H19FS — CID 166941864

IUPAC4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol
SMILESC=C(C)C(C)(CCCS)C(C)F
InChIInChI=1S/C10H19FS/c1-8(2)10(4,9(3)11)6-5-7-12/h9,12H,1,5-7H2,2-4H3
InChIKeyAPRQEWRJWHSUEF-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.64
Rot. Bonds5

About 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol

4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol (PubChem CID 166941864) has the molecular formula C10H19FS and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol.

Molecular Properties

Compound Name4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol
PubChem CID166941864
Molecular FormulaC10H19FS
Molecular Weight190.33 g/mol
Exact Mass190.12
IUPAC Name4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol
SMILESC=C(C)C(C)(CCCS)C(C)F
InChIInChI=1S/C10H19FS/c1-8(2)10(4,9(3)11)6-5-7-12/h9,12H,1,5-7H2,2-4H3
InChIKeyAPRQEWRJWHSUEF-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.64
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

3-(Fluoromethyl)-7,10-dimethyl-6-methylidene-7-propylundecane-2-thiol
CID 155014798
2,4-Dimethylhex-1-ene-1-thiol
CID 59877406
2-Ethyl-2-methyl-6-methylidenenonane-1-thiol
CID 89062066
3,3,4,4-Tetramethylhept-6-ene-2-thiol
CID 90771726
2,2,3,4-Tetramethylpent-4-ene-1-thiol
CID 123825984
6-Ethyl-3-methylidene-6-propylnonane-1-thiol
CID 132026463
5,5,7-Trimethylocta-1,7-diene-1-thiol
CID 134364645
4,4,7,7-Tetramethyl-5-methylideneoctane-2-thiol
CID 138690112
3,4,4,5-Tetramethylhex-5-ene-2-thiol
CID 138720496
3-Methyl-3-prop-1-en-2-ylhexane-2-thiol
CID 146591722
4,5,5-Trimethyl-3-methylideneheptane-2-thiol
CID 146604285
2,4,4-Trimethylpent-1-ene-1-thiol
CID 153964543

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol?
The IUPAC name of 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol (CID 166941864) is 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol.
What is the SMILES notation for 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol?
The canonical SMILES for 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol is C=C(C)C(C)(CCCS)C(C)F.
What is the InChIKey of 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol?
The InChIKey is APRQEWRJWHSUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FS/c1-8(2)10(4,9(3)11)6-5-7-12/h9,12H,1,5-7H2,2-4H3.
What are the key properties of 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol?
4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol has a molecular weight of 190.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-4,5-dimethylhex-5-ene-1-thiol is sourced from PubChem (CID 166941864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).