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

C12H18F3NS — CID 114749178

IUPACN-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCCc1c(CNCC(F)(F)F)csc1CC
InChIInChI=1S/C12H18F3NS/c1-3-5-10-9(7-17-11(10)4-2)6-16-8-12(13,14)15/h7,16H,3-6,8H2,1-2H3
InChIKeyVSFCQACNRZLEGP-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.91
Rot. Bonds6

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

N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 114749178) has the molecular formula C12H18F3NS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID114749178
Molecular FormulaC12H18F3NS
Molecular Weight265.34 g/mol
Exact Mass265.11
IUPAC NameN-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCCc1c(CNCC(F)(F)F)csc1CC
InChIInChI=1S/C12H18F3NS/c1-3-5-10-9(7-17-11(10)4-2)6-16-8-12(13,14)15/h7,16H,3-6,8H2,1-2H3
InChIKeyVSFCQACNRZLEGP-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.91
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]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 114749178) is N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine is CCCc1c(CNCC(F)(F)F)csc1CC.
What is the InChIKey of N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is VSFCQACNRZLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NS/c1-3-5-10-9(7-17-11(10)4-2)6-16-8-12(13,14)15/h7,16H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 265.34 g/mol, XLogP of 3.91, 6 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]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114749178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).