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

C10H15F2NS — CID 114749120

IUPACN-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1c(CNCC(F)F)csc1C
InChIInChI=1S/C10H15F2NS/c1-3-9-7(2)14-6-8(9)4-13-5-10(11)12/h6,10,13H,3-5H2,1-2H3
InChIKeyANXJPXKPRFHWBK-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.97
Rot. Bonds5

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

N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine (PubChem CID 114749120) has the molecular formula C10H15F2NS and a molecular weight of 219.30 g/mol. Its IUPAC name is N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
PubChem CID114749120
Molecular FormulaC10H15F2NS
Molecular Weight219.30 g/mol
Exact Mass219.09
IUPAC NameN-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1c(CNCC(F)F)csc1C
InChIInChI=1S/C10H15F2NS/c1-3-9-7(2)14-6-8(9)4-13-5-10(11)12/h6,10,13H,3-5H2,1-2H3
InChIKeyANXJPXKPRFHWBK-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine (CID 114749120) is N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine is CCc1c(CNCC(F)F)csc1C.
What is the InChIKey of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is ANXJPXKPRFHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NS/c1-3-9-7(2)14-6-8(9)4-13-5-10(11)12/h6,10,13H,3-5H2,1-2H3.
What are the key properties of N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine?
N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 219.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 114749120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).