N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine

C12H19F2NS — CID 114749106

IUPACN-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCCCc1c(CNCC(F)F)csc1CC
InChIInChI=1S/C12H19F2NS/c1-3-5-10-9(6-15-7-12(13)14)8-16-11(10)4-2/h8,12,15H,3-7H2,1-2H3
InChIKeyCGBCYKNMVJMASV-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.62
Rot. Bonds7

About N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine

N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine (PubChem CID 114749106) has the molecular formula C12H19F2NS and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine
PubChem CID114749106
Molecular FormulaC12H19F2NS
Molecular Weight247.35 g/mol
Exact Mass247.12
IUPAC NameN-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCCCc1c(CNCC(F)F)csc1CC
InChIInChI=1S/C12H19F2NS/c1-3-5-10-9(6-15-7-12(13)14)8-16-11(10)4-2/h8,12,15H,3-7H2,1-2H3
InChIKeyCGBCYKNMVJMASV-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine (CID 114749106) is N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine is CCCc1c(CNCC(F)F)csc1CC.
What is the InChIKey of N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is CGBCYKNMVJMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NS/c1-3-5-10-9(6-15-7-12(13)14)8-16-11(10)4-2/h8,12,15H,3-7H2,1-2H3.
What are the key properties of N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 247.35 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 114749106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).