N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C7H11ClF5NS — CID 107488038

IUPACN-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)CN(CCCl)CCSC(F)(F)F
InChIInChI=1S/C7H11ClF5NS/c8-1-2-14(5-6(9)10)3-4-15-7(11,12)13/h6H,1-5H2
InChIKeyBPPDBHJKLBDFRR-UHFFFAOYSA-N
MW271.68 g/mol
LogP3.05
Rot. Bonds7

About N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 107488038) has the molecular formula C7H11ClF5NS and a molecular weight of 271.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID107488038
Molecular FormulaC7H11ClF5NS
Molecular Weight271.68 g/mol
Exact Mass271.02
IUPAC NameN-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)CN(CCCl)CCSC(F)(F)F
InChIInChI=1S/C7H11ClF5NS/c8-1-2-14(5-6(9)10)3-4-15-7(11,12)13/h6H,1-5H2
InChIKeyBPPDBHJKLBDFRR-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine
CID 107487839
N-(2-chloroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618077
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine
CID 107488033
N-(2-chloroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 116618087
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-ethylsulfonylpropan-1-amine
CID 107488098
N-(2-chloroethyl)-2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 107487831
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487933
5-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 107205079
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
CID 103102755
N-(2-bromoethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618150
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 107488038) is N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is FC(F)CN(CCCl)CCSC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is BPPDBHJKLBDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF5NS/c8-1-2-14(5-6(9)10)3-4-15-7(11,12)13/h6H,1-5H2.
What are the key properties of N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 271.68 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2-difluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 107488038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).