N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine

C11H16F3NOS — CID 107559062

IUPACN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-3-15-6-9-4-5-10(17-9)7-16-8(2)11(12,13)14/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyZQDWCIYYHOBXCH-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.33
Rot. Bonds6

About N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107559062) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107559062
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC NameN-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-3-15-6-9-4-5-10(17-9)7-16-8(2)11(12,13)14/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyZQDWCIYYHOBXCH-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559337
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974
N-[[5-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80734065
3-[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 66275053
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 66275553
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine (CID 107559062) is N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COC(C)C(F)(F)F)s1.
What is the InChIKey of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is ZQDWCIYYHOBXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-3-15-6-9-4-5-10(17-9)7-16-8(2)11(12,13)14/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 267.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107559062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).