3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene

C8H12ClF3S — CID 102642086

IUPAC3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene
SMILESC=CC(C)(CCl)CCSC(F)(F)F
InChIInChI=1S/C8H12ClF3S/c1-3-7(2,6-9)4-5-13-8(10,11)12/h3H,1,4-6H2,2H3
InChIKeyUXWJWGKQYAQTOG-UHFFFAOYSA-N
MW232.70 g/mol
LogP4.06
Rot. Bonds5

About 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene

3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene (PubChem CID 102642086) has the molecular formula C8H12ClF3S and a molecular weight of 232.70 g/mol. Its IUPAC name is 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene
PubChem CID102642086
Molecular FormulaC8H12ClF3S
Molecular Weight232.70 g/mol
Exact Mass232.03
IUPAC Name3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene
SMILESC=CC(C)(CCl)CCSC(F)(F)F
InChIInChI=1S/C8H12ClF3S/c1-3-7(2,6-9)4-5-13-8(10,11)12/h3H,1,4-6H2,2H3
InChIKeyUXWJWGKQYAQTOG-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-5-ethylsulfanyl-3-methylpent-1-ene
CID 102642075
3-(chloromethyl)-3,5-dimethylhex-1-ene
CID 102642065
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
3,3-difluorobut-1-ene;propane
CID 143721745
[1-chloro-2-(chloromethyl)-4-(trifluoromethylsulfanyl)butan-2-yl]cyclopentane
CID 116628074
[4-(chloromethyl)-4-methylhex-5-enoxy]benzene
CID 102641999
2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diol
CID 116628030
2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentanoic acid
CID 116616869
[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium
CID 172813445
3-(chloromethyl)-1-(trifluoromethylsulfanyl)pentane
CID 116627937
N-[2-(2-ethylsulfanylethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641265
3,3-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 106146928

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene?
The IUPAC name of 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene (CID 102642086) is 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene.
What is the SMILES notation for 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene?
The canonical SMILES for 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene is C=CC(C)(CCl)CCSC(F)(F)F.
What is the InChIKey of 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene?
The InChIKey is UXWJWGKQYAQTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3S/c1-3-7(2,6-9)4-5-13-8(10,11)12/h3H,1,4-6H2,2H3.
What are the key properties of 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene?
3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene has a molecular weight of 232.70 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene is sourced from PubChem (CID 102642086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).