[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine

C9H13F2NOS — CID 82006292

IUPAC[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCC(F)F
InChIInChI=1S/C9H13F2NOS/c1-6-7(2-8(3-12)14-6)4-13-5-9(10)11/h2,9H,3-5,12H2,1H3
InChIKeyBQBPEKSIFNHVTO-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.30
Rot. Bonds5

About [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine

[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine (PubChem CID 82006292) has the molecular formula C9H13F2NOS and a molecular weight of 221.27 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
PubChem CID82006292
Molecular FormulaC9H13F2NOS
Molecular Weight221.27 g/mol
Exact Mass221.07
IUPAC Name[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCC(F)F
InChIInChI=1S/C9H13F2NOS/c1-6-7(2-8(3-12)14-6)4-13-5-9(10)11/h2,9H,3-5,12H2,1H3
InChIKeyBQBPEKSIFNHVTO-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 82006891
[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 80729691
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
CID 80729173
4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid
CID 82005014
3-[[5-(aminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80728700
[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
CID 107559173
[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine
CID 80729917
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729570
[4-[(4-chloro-3-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 82727142
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine (CID 82006292) is [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine is Cc1sc(CN)cc1COCC(F)F.
What is the InChIKey of [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine?
The InChIKey is BQBPEKSIFNHVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NOS/c1-6-7(2-8(3-12)14-6)4-13-5-9(10)11/h2,9H,3-5,12H2,1H3.
What are the key properties of [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine?
[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine has a molecular weight of 221.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 82006292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).