[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine

C8H11F2NOS — CID 107559173

IUPAC[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(COCC(F)F)s1
InChIInChI=1S/C8H11F2NOS/c9-8(10)5-12-4-7-2-1-6(3-11)13-7/h1-2,8H,3-5,11H2
InChIKeyDXWJKTGINSHFKG-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.99
Rot. Bonds5

About [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine

[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 107559173) has the molecular formula C8H11F2NOS and a molecular weight of 207.24 g/mol. Its IUPAC name is [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
PubChem CID107559173
Molecular FormulaC8H11F2NOS
Molecular Weight207.24 g/mol
Exact Mass207.05
IUPAC Name[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(COCC(F)F)s1
InChIInChI=1S/C8H11F2NOS/c9-8(10)5-12-4-7-2-1-6(3-11)13-7/h1-2,8H,3-5,11H2
InChIKeyDXWJKTGINSHFKG-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170
[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 82006292
[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558122
[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine
CID 82006755
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
(E)-3-[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]prop-2-enoic acid
CID 82007289
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine
CID 107558073
[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558171
[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine
CID 82006174
[2-(2,2-difluoroethoxymethyl)-4-fluorophenyl]methanamine
CID 82003824
4-(2,2-difluoroethoxymethyl)aniline
CID 60921613

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine (CID 107559173) is [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine is NCc1ccc(COCC(F)F)s1.
What is the InChIKey of [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is DXWJKTGINSHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c9-8(10)5-12-4-7-2-1-6(3-11)13-7/h1-2,8H,3-5,11H2.
What are the key properties of [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine?
[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 207.24 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107559173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).