N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide

C6H10F4N2O — CID 89326937

IUPACN-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide
SMILESCC(F)(C(=O)NCCN)C(F)(F)F
InChIInChI=1S/C6H10F4N2O/c1-5(7,6(8,9)10)4(13)12-3-2-11/h2-3,11H2,1H3,(H,12,13)
InChIKeyZJVQRUPGHSBPRX-UHFFFAOYSA-N
MW202.15 g/mol
LogP0.35
Rot. Bonds3

About N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide

N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide (PubChem CID 89326937) has the molecular formula C6H10F4N2O and a molecular weight of 202.15 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide
PubChem CID89326937
Molecular FormulaC6H10F4N2O
Molecular Weight202.15 g/mol
Exact Mass202.07
IUPAC NameN-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide
SMILESCC(F)(C(=O)NCCN)C(F)(F)F
InChIInChI=1S/C6H10F4N2O/c1-5(7,6(8,9)10)4(13)12-3-2-11/h2-3,11H2,1H3,(H,12,13)
InChIKeyZJVQRUPGHSBPRX-UHFFFAOYSA-N
XLogP0.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide?
The IUPAC name of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide (CID 89326937) is N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide is CC(F)(C(=O)NCCN)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide?
The InChIKey is ZJVQRUPGHSBPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4N2O/c1-5(7,6(8,9)10)4(13)12-3-2-11/h2-3,11H2,1H3,(H,12,13).
What are the key properties of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide?
N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide has a molecular weight of 202.15 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-methylpropanamide is sourced from PubChem (CID 89326937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).