N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine

C7H14ClF2NS — CID 107487839

IUPACN-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCN(CCCl)CC(F)F
InChIInChI=1S/C7H14ClF2NS/c1-12-5-4-11(3-2-8)6-7(9)10/h7H,2-6H2,1H3
InChIKeyCZQIAQYVMSNYNR-UHFFFAOYSA-N
MW217.71 g/mol
LogP2.16
Rot. Bonds7

About N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine

N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 107487839) has the molecular formula C7H14ClF2NS and a molecular weight of 217.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine
PubChem CID107487839
Molecular FormulaC7H14ClF2NS
Molecular Weight217.71 g/mol
Exact Mass217.05
IUPAC NameN-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCN(CCCl)CC(F)F
InChIInChI=1S/C7H14ClF2NS/c1-12-5-4-11(3-2-8)6-7(9)10/h7H,2-6H2,1H3
InChIKeyCZQIAQYVMSNYNR-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.71
LogP ≤ 52.16
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-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 107488038
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine
CID 107488033
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
N-(2-chloroethyl)-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
CID 107487986
N-(2-chloroethyl)-N-[(2,6-dimethylphenyl)methyl]-2,2-difluoroethanamine
CID 107487813
N-(2-chloroethyl)-2,2-difluoro-N-(2-thiophen-2-ylethyl)ethanamine
CID 107487797
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799
N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 61378109
N-(2-chloroethyl)-2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
CID 107487991
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine
CID 107488031

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine (CID 107487839) is N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine is CSCCN(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is CZQIAQYVMSNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClF2NS/c1-12-5-4-11(3-2-8)6-7(9)10/h7H,2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine?
N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 217.71 g/mol, XLogP of 2.16, 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-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 107487839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).