2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine

C11H17F2NS — CID 114749115

IUPAC2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
SMILESCc1scc(CNCC(F)F)c1C(C)C
InChIInChI=1S/C11H17F2NS/c1-7(2)11-8(3)15-6-9(11)4-14-5-10(12)13/h6-7,10,14H,4-5H2,1-3H3
InChIKeyJQGSERXCAFQHRV-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.53
Rot. Bonds5

About 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine

2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine (PubChem CID 114749115) has the molecular formula C11H17F2NS and a molecular weight of 233.33 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
PubChem CID114749115
Molecular FormulaC11H17F2NS
Molecular Weight233.33 g/mol
Exact Mass233.10
IUPAC Name2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
SMILESCc1scc(CNCC(F)F)c1C(C)C
InChIInChI=1S/C11H17F2NS/c1-7(2)11-8(3)15-6-9(11)4-14-5-10(12)13/h6-7,10,14H,4-5H2,1-3H3
InChIKeyJQGSERXCAFQHRV-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine (CID 114749115) is 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine is Cc1scc(CNCC(F)F)c1C(C)C.
What is the InChIKey of 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The InChIKey is JQGSERXCAFQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NS/c1-7(2)11-8(3)15-6-9(11)4-14-5-10(12)13/h6-7,10,14H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine has a molecular weight of 233.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114749115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).