N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine

C9H13F2N3 — CID 80605756

IUPACN-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine
SMILESCCNC(C)(c1cnccn1)C(F)F
InChIInChI=1S/C9H13F2N3/c1-3-14-9(2,8(10)11)7-6-12-4-5-13-7/h4-6,8,14H,3H2,1-2H3
InChIKeyMEECTQDCWZVSTP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine

N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine (PubChem CID 80605756) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine
PubChem CID80605756
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine
SMILESCCNC(C)(c1cnccn1)C(F)F
InChIInChI=1S/C9H13F2N3/c1-3-14-9(2,8(10)11)7-6-12-4-5-13-7/h4-6,8,14H,3H2,1-2H3
InChIKeyMEECTQDCWZVSTP-UHFFFAOYSA-N
XLogP1.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine (CID 80605756) is N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine is CCNC(C)(c1cnccn1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine?
The InChIKey is MEECTQDCWZVSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-3-14-9(2,8(10)11)7-6-12-4-5-13-7/h4-6,8,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine?
N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine has a molecular weight of 201.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-2-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 80605756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).