4-chloro-1-(trifluoromethylsulfanyl)pentane

C6H10ClF3S — CID 116617359

IUPAC4-chloro-1-(trifluoromethylsulfanyl)pentane
SMILESCC(Cl)CCCSC(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-5(7)3-2-4-11-6(8,9)10/h5H,2-4H2,1H3
InChIKeyNMWOCWWPHMOZBI-UHFFFAOYSA-N
MW206.66 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-1-(trifluoromethylsulfanyl)pentane

4-chloro-1-(trifluoromethylsulfanyl)pentane (PubChem CID 116617359) has the molecular formula C6H10ClF3S and a molecular weight of 206.66 g/mol. Its IUPAC name is 4-chloro-1-(trifluoromethylsulfanyl)pentane.

Molecular Properties

Compound Name4-chloro-1-(trifluoromethylsulfanyl)pentane
PubChem CID116617359
Molecular FormulaC6H10ClF3S
Molecular Weight206.66 g/mol
Exact Mass206.01
IUPAC Name4-chloro-1-(trifluoromethylsulfanyl)pentane
SMILESCC(Cl)CCCSC(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-5(7)3-2-4-11-6(8,9)10/h5H,2-4H2,1H3
InChIKeyNMWOCWWPHMOZBI-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.66
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201
2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627253
N-methyl-1-(trifluoromethylsulfanyl)heptan-4-amine
CID 116616635
3-bromo-N-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618153
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616639
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
3-(chloromethyl)-1-(trifluoromethylsulfanyl)pentane
CID 116627937
N-(2-chloroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 116618087
3-(trifluoromethylsulfanyl)propan-1-amine chloride
CID 75530535
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617352
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(trifluoromethylsulfanyl)pentane?
The IUPAC name of 4-chloro-1-(trifluoromethylsulfanyl)pentane (CID 116617359) is 4-chloro-1-(trifluoromethylsulfanyl)pentane.
What is the SMILES notation for 4-chloro-1-(trifluoromethylsulfanyl)pentane?
The canonical SMILES for 4-chloro-1-(trifluoromethylsulfanyl)pentane is CC(Cl)CCCSC(F)(F)F.
What is the InChIKey of 4-chloro-1-(trifluoromethylsulfanyl)pentane?
The InChIKey is NMWOCWWPHMOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3S/c1-5(7)3-2-4-11-6(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 4-chloro-1-(trifluoromethylsulfanyl)pentane?
4-chloro-1-(trifluoromethylsulfanyl)pentane has a molecular weight of 206.66 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(trifluoromethylsulfanyl)pentane is sourced from PubChem (CID 116617359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).