1-chloro-1-(trifluoromethylsulfanyl)pentane

C6H10ClF3S — CID 174757819

IUPAC1-chloro-1-(trifluoromethylsulfanyl)pentane
SMILESCCCCC(Cl)SC(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-2-3-4-5(7)11-6(8,9)10/h5H,2-4H2,1H3
InChIKeyJVMSPJSEUSMPIT-UHFFFAOYSA-N
MW206.66 g/mol
LogP3.99
Rot. Bonds4

About 1-chloro-1-(trifluoromethylsulfanyl)pentane

1-chloro-1-(trifluoromethylsulfanyl)pentane (PubChem CID 174757819) has the molecular formula C6H10ClF3S and a molecular weight of 206.66 g/mol. Its IUPAC name is 1-chloro-1-(trifluoromethylsulfanyl)pentane.

Molecular Properties

Compound Name1-chloro-1-(trifluoromethylsulfanyl)pentane
PubChem CID174757819
Molecular FormulaC6H10ClF3S
Molecular Weight206.66 g/mol
Exact Mass206.01
IUPAC Name1-chloro-1-(trifluoromethylsulfanyl)pentane
SMILESCCCCC(Cl)SC(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-2-3-4-5(7)11-6(8,9)10/h5H,2-4H2,1H3
InChIKeyJVMSPJSEUSMPIT-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(trifluoromethylsulfanyl)pentadecane
CID 132524326
1,1-dichloro-1-fluoro-2-methylhexane
CID 173319055
1,1-dichloropentane;gallane
CID 174452216
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one
CID 151772322
(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
CID 132524330
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
1,1,1-trifluorohexan-2-amine
CID 50998628
N-tert-butyl-4-(trifluoromethylsulfanyl)octane-1-sulfonamide
CID 166442899
chloroform;pentane
CID 19858055

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(trifluoromethylsulfanyl)pentane?
The IUPAC name of 1-chloro-1-(trifluoromethylsulfanyl)pentane (CID 174757819) is 1-chloro-1-(trifluoromethylsulfanyl)pentane.
What is the SMILES notation for 1-chloro-1-(trifluoromethylsulfanyl)pentane?
The canonical SMILES for 1-chloro-1-(trifluoromethylsulfanyl)pentane is CCCCC(Cl)SC(F)(F)F.
What is the InChIKey of 1-chloro-1-(trifluoromethylsulfanyl)pentane?
The InChIKey is JVMSPJSEUSMPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3S/c1-2-3-4-5(7)11-6(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 1-chloro-1-(trifluoromethylsulfanyl)pentane?
1-chloro-1-(trifluoromethylsulfanyl)pentane has a molecular weight of 206.66 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(trifluoromethylsulfanyl)pentane is sourced from PubChem (CID 174757819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).