2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine

C14H21F4NOS — CID 80720950

IUPAC2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1COCC(F)(F)C(F)F
InChIInChI=1S/C14H21F4NOS/c1-9-10(7-20-8-14(17,18)12(15)16)5-11(21-9)6-19-13(2,3)4/h5,12,19H,6-8H2,1-4H3
InChIKeyZJYSLZFIIOAJBT-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.36
Rot. Bonds7

About 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80720950) has the molecular formula C14H21F4NOS and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID80720950
Molecular FormulaC14H21F4NOS
Molecular Weight327.39 g/mol
Exact Mass327.13
IUPAC Name2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1COCC(F)(F)C(F)F
InChIInChI=1S/C14H21F4NOS/c1-9-10(7-20-8-14(17,18)12(15)16)5-11(21-9)6-19-13(2,3)4/h5,12,19H,6-8H2,1-4H3
InChIKeyZJYSLZFIIOAJBT-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 80720950) is 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine is Cc1sc(CNC(C)(C)C)cc1COCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is ZJYSLZFIIOAJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F4NOS/c1-9-10(7-20-8-14(17,18)12(15)16)5-11(21-9)6-19-13(2,3)4/h5,12,19H,6-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 327.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80720950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).