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

C10H15F2NS — CID 114749093

IUPAC2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine
SMILESCC(C)c1cscc1CNCC(F)F
InChIInChI=1S/C10H15F2NS/c1-7(2)9-6-14-5-8(9)3-13-4-10(11)12/h5-7,10,13H,3-4H2,1-2H3
InChIKeyKDZGNAATVCCESY-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.23
Rot. Bonds5

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

2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine (PubChem CID 114749093) has the molecular formula C10H15F2NS and a molecular weight of 219.30 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine
PubChem CID114749093
Molecular FormulaC10H15F2NS
Molecular Weight219.30 g/mol
Exact Mass219.09
IUPAC Name2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine
SMILESCC(C)c1cscc1CNCC(F)F
InChIInChI=1S/C10H15F2NS/c1-7(2)9-6-14-5-8(9)3-13-4-10(11)12/h5-7,10,13H,3-4H2,1-2H3
InChIKeyKDZGNAATVCCESY-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.23
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-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine (CID 114749093) is 2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine is CC(C)c1cscc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
The InChIKey is KDZGNAATVCCESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NS/c1-7(2)9-6-14-5-8(9)3-13-4-10(11)12/h5-7,10,13H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine has a molecular weight of 219.30 g/mol, XLogP of 3.23, 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-[(4-propan-2-ylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114749093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).