2-fluoro-2-propylpropane-1,3-diamine

C6H15FN2 — CID 122239502

IUPAC2-fluoro-2-propylpropane-1,3-diamine
SMILESCCCC(F)(CN)CN
InChIInChI=1S/C6H15FN2/c1-2-3-6(7,4-8)5-9/h2-5,8-9H2,1H3
InChIKeyXMXXDHDIWFPCBP-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.41
Rot. Bonds4

About 2-fluoro-2-propylpropane-1,3-diamine

2-fluoro-2-propylpropane-1,3-diamine (PubChem CID 122239502) has the molecular formula C6H15FN2 and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-fluoro-2-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-2-propylpropane-1,3-diamine
PubChem CID122239502
Molecular FormulaC6H15FN2
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Name2-fluoro-2-propylpropane-1,3-diamine
SMILESCCCC(F)(CN)CN
InChIInChI=1S/C6H15FN2/c1-2-3-6(7,4-8)5-9/h2-5,8-9H2,1H3
InChIKeyXMXXDHDIWFPCBP-UHFFFAOYSA-N
XLogP0.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-propylpropane-1,3-diamine?
The IUPAC name of 2-fluoro-2-propylpropane-1,3-diamine (CID 122239502) is 2-fluoro-2-propylpropane-1,3-diamine.
What is the SMILES notation for 2-fluoro-2-propylpropane-1,3-diamine?
The canonical SMILES for 2-fluoro-2-propylpropane-1,3-diamine is CCCC(F)(CN)CN.
What is the InChIKey of 2-fluoro-2-propylpropane-1,3-diamine?
The InChIKey is XMXXDHDIWFPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2/c1-2-3-6(7,4-8)5-9/h2-5,8-9H2,1H3.
What are the key properties of 2-fluoro-2-propylpropane-1,3-diamine?
2-fluoro-2-propylpropane-1,3-diamine has a molecular weight of 134.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-propylpropane-1,3-diamine is sourced from PubChem (CID 122239502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).