N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine

C10H15F2NOS — CID 107559170

IUPACN-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCC(F)F)s1
InChIInChI=1S/C10H15F2NOS/c1-2-13-5-8-3-4-9(15-8)6-14-7-10(11)12/h3-4,10,13H,2,5-7H2,1H3
InChIKeyOKXVOKXTSIOFHJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.64
Rot. Bonds7

About N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107559170) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107559170
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC NameN-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCC(F)F)s1
InChIInChI=1S/C10H15F2NOS/c1-2-13-5-8-3-4-9(15-8)6-14-7-10(11)12/h3-4,10,13H,2,5-7H2,1H3
InChIKeyOKXVOKXTSIOFHJ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
CID 107559173
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559337
N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 114208623
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559062
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558136
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974
N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081262
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[3-(2,2-difluoroethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 82005147

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 107559170) is N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COCC(F)F)s1.
What is the InChIKey of N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is OKXVOKXTSIOFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-2-13-5-8-3-4-9(15-8)6-14-7-10(11)12/h3-4,10,13H,2,5-7H2,1H3.
What are the key properties of N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 235.30 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107559170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).