N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine

C9H12ClF2NOS — CID 107166911

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCc1cc(Cl)cs1
InChIInChI=1S/C9H12ClF2NOS/c10-7-3-8(15-6-7)4-13-1-2-14-5-9(11)12/h3,6,9,13H,1-2,4-5H2
InChIKeyGONYJWXJRGNEPV-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.77
Rot. Bonds7

About N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine

N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine (PubChem CID 107166911) has the molecular formula C9H12ClF2NOS and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
PubChem CID107166911
Molecular FormulaC9H12ClF2NOS
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCc1cc(Cl)cs1
InChIInChI=1S/C9H12ClF2NOS/c10-7-3-8(15-6-7)4-13-1-2-14-5-9(11)12/h3,6,9,13H,1-2,4-5H2
InChIKeyGONYJWXJRGNEPV-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-thienylmethyl)-N-(2-vinyloxyethyl)amine
CID 3865559
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45893374
N-[(4-chlorothiophen-2-yl)methyl]-3-methyloxetan-3-amine
CID 137956793
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962389
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 55151711
N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260047
N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733438
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733682
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733755
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733758
1-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490570
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490717

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine (CID 107166911) is N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine is FC(F)COCCNCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
The InChIKey is GONYJWXJRGNEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NOS/c10-7-3-8(15-6-7)4-13-1-2-14-5-9(11)12/h3,6,9,13H,1-2,4-5H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine?
N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine has a molecular weight of 255.72 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine is sourced from PubChem (CID 107166911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).