2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine

C8H11F2NOS — CID 115406990

IUPAC2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCOc1ccsc1CNCC(F)F
InChIInChI=1S/C8H11F2NOS/c1-12-6-2-3-13-7(6)4-11-5-8(9)10/h2-3,8,11H,4-5H2,1H3
InChIKeyGJYGDYKNMHLARQ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.11
Rot. Bonds5

About 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine

2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 115406990) has the molecular formula C8H11F2NOS and a molecular weight of 207.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID115406990
Molecular FormulaC8H11F2NOS
Molecular Weight207.25 g/mol
Exact Mass207.05
IUPAC Name2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCOc1ccsc1CNCC(F)F
InChIInChI=1S/C8H11F2NOS/c1-12-6-2-3-13-7(6)4-11-5-8(9)10/h2-3,8,11H,4-5H2,1H3
InChIKeyGJYGDYKNMHLARQ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methoxythien-2-yl)methylamine
CID 43811049
1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 43811050
1-[3-(difluoromethoxy)thiophen-2-yl]-N-methylmethanamine
CID 138478526
3-(Trifluoromethyl)-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 156238504
[3-(Difluoromethoxy)thiophen-2-yl]methanamine
CID 176110639
3-(Difluoromethoxy)thiophene-2-carbothioamide
CID 178133599
[3-(2,2,2-Trifluoroethoxy)thiophen-2-yl]methanamine
CID 39202914
2,2,2-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
CID 63333195
2,2,2-trifluoro-N-[(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81122011
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 104992723
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
CID 104992724
4,4,4-Trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 104992725

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine (CID 115406990) is 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine is COc1ccsc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is GJYGDYKNMHLARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c1-12-6-2-3-13-7(6)4-11-5-8(9)10/h2-3,8,11H,4-5H2,1H3.
What are the key properties of 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine?
2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 207.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115406990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).