1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine

C10H14ClF2NOS — CID 102978085

IUPAC1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClF2NOS/c1-7(8-2-3-9(11)16-8)14-4-5-15-6-10(12)13/h2-3,7,10,14H,4-6H2,1H3
InChIKeyXUWUFNAYTBDSPH-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.33
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine (PubChem CID 102978085) has the molecular formula C10H14ClF2NOS and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
PubChem CID102978085
Molecular FormulaC10H14ClF2NOS
Molecular Weight269.74 g/mol
Exact Mass269.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClF2NOS/c1-7(8-2-3-9(11)16-8)14-4-5-15-6-10(12)13/h2-3,7,10,14H,4-6H2,1H3
InChIKeyXUWUFNAYTBDSPH-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.33
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-[1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
CID 45879040
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45893374
(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol
CID 75484777
1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine
CID 75504700
(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol
CID 91648031
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 97330576
N-[(4-chlorothiophen-2-yl)methyl]-3-methyloxetan-3-amine
CID 137956793
(2S)-2-[(5-chlorothiophen-2-yl)methylamino]hex-4-yn-1-ol
CID 164632727
(2R)-2-[(5-chlorothiophen-2-yl)methylamino]but-3-yn-1-ol
CID 164641296
N-[(5-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435207
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43438902

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine (CID 102978085) is 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
The InChIKey is XUWUFNAYTBDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NOS/c1-7(8-2-3-9(11)16-8)14-4-5-15-6-10(12)13/h2-3,7,10,14H,4-6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine has a molecular weight of 269.74 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 102978085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).