2-ethyl-2-fluoropropane-1,3-diamine

C5H13FN2 — CID 122239497

IUPAC2-ethyl-2-fluoropropane-1,3-diamine
SMILESCCC(F)(CN)CN
InChIInChI=1S/C5H13FN2/c1-2-5(6,3-7)4-8/h2-4,7-8H2,1H3
InChIKeyUVENNWFXRZXMBQ-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.02
Rot. Bonds3

About 2-ethyl-2-fluoropropane-1,3-diamine

2-ethyl-2-fluoropropane-1,3-diamine (PubChem CID 122239497) has the molecular formula C5H13FN2 and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-ethyl-2-fluoropropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-2-fluoropropane-1,3-diamine
PubChem CID122239497
Molecular FormulaC5H13FN2
Molecular Weight120.17 g/mol
Exact Mass120.11
IUPAC Name2-ethyl-2-fluoropropane-1,3-diamine
SMILESCCC(F)(CN)CN
InChIInChI=1S/C5H13FN2/c1-2-5(6,3-7)4-8/h2-4,7-8H2,1H3
InChIKeyUVENNWFXRZXMBQ-UHFFFAOYSA-N
XLogP0.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoropropane-1,3-diamine?
The IUPAC name of 2-ethyl-2-fluoropropane-1,3-diamine (CID 122239497) is 2-ethyl-2-fluoropropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-2-fluoropropane-1,3-diamine?
The canonical SMILES for 2-ethyl-2-fluoropropane-1,3-diamine is CCC(F)(CN)CN.
What is the InChIKey of 2-ethyl-2-fluoropropane-1,3-diamine?
The InChIKey is UVENNWFXRZXMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FN2/c1-2-5(6,3-7)4-8/h2-4,7-8H2,1H3.
What are the key properties of 2-ethyl-2-fluoropropane-1,3-diamine?
2-ethyl-2-fluoropropane-1,3-diamine has a molecular weight of 120.17 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoropropane-1,3-diamine is sourced from PubChem (CID 122239497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).