5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile

C10H12F2N2OS — CID 103081001

IUPAC5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCCOCC(F)F)c1
InChIInChI=1S/C10H12F2N2OS/c11-10(12)6-15-2-1-14-5-9-3-8(4-13)7-16-9/h3,7,10,14H,1-2,5-6H2
InChIKeyCIGNIVSYHKVUTH-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.99
Rot. Bonds7

About 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile

5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile (PubChem CID 103081001) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
PubChem CID103081001
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCCOCC(F)F)c1
InChIInChI=1S/C10H12F2N2OS/c11-10(12)6-15-2-1-14-5-9-3-8(4-13)7-16-9/h3,7,10,14H,1-2,5-6H2
InChIKeyCIGNIVSYHKVUTH-UHFFFAOYSA-N
XLogP1.99
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545191
5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile
CID 115405928
5-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 115699238
4-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-3,5-difluorobenzonitrile
CID 107166910
2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 103081163
5-[(4-methoxybutylamino)methyl]thiophene-3-carbonitrile
CID 79553072
5-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophene-3-carbonitrile
CID 79544824
5-[(3-hydroxybutylamino)methyl]thiophene-3-carbonitrile
CID 79553008
5-[(hexylamino)methyl]thiophene-3-carbonitrile
CID 79545786
5-[(2-pyridin-4-ylethylamino)methyl]thiophene-3-carbonitrile
CID 79614452
5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79544897
5-[(2-methylsulfonylethylamino)methyl]thiophene-3-carbonitrile
CID 79553701

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile (CID 103081001) is 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile is N#Cc1csc(CNCCOCC(F)F)c1.
What is the InChIKey of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is CIGNIVSYHKVUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c11-10(12)6-15-2-1-14-5-9-3-8(4-13)7-16-9/h3,7,10,14H,1-2,5-6H2.
What are the key properties of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile?
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 246.28 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 103081001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).