2-fluoropropane-1,3-diamine

C3H9FN2 — CID 19902646

IUPAC2-fluoropropane-1,3-diamine
SMILESNCC(F)CN
InChIInChI=1S/C3H9FN2/c4-3(1-5)2-6/h3H,1-2,5-6H2
InChIKeyTXQUTKBUDACTOB-UHFFFAOYSA-N
MW92.12 g/mol
LogP-0.76
Rot. Bonds2

About 2-fluoropropane-1,3-diamine

2-fluoropropane-1,3-diamine (PubChem CID 19902646) has the molecular formula C3H9FN2 and a molecular weight of 92.12 g/mol. Its IUPAC name is 2-fluoropropane-1,3-diamine.

Molecular Properties

Compound Name2-fluoropropane-1,3-diamine
PubChem CID19902646
Molecular FormulaC3H9FN2
Molecular Weight92.12 g/mol
Exact Mass92.07
IUPAC Name2-fluoropropane-1,3-diamine
SMILESNCC(F)CN
InChIInChI=1S/C3H9FN2/c4-3(1-5)2-6/h3H,1-2,5-6H2
InChIKeyTXQUTKBUDACTOB-UHFFFAOYSA-N
XLogP-0.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropropane-1,3-diamine?
The IUPAC name of 2-fluoropropane-1,3-diamine (CID 19902646) is 2-fluoropropane-1,3-diamine.
What is the SMILES notation for 2-fluoropropane-1,3-diamine?
The canonical SMILES for 2-fluoropropane-1,3-diamine is NCC(F)CN.
What is the InChIKey of 2-fluoropropane-1,3-diamine?
The InChIKey is TXQUTKBUDACTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9FN2/c4-3(1-5)2-6/h3H,1-2,5-6H2.
What are the key properties of 2-fluoropropane-1,3-diamine?
2-fluoropropane-1,3-diamine has a molecular weight of 92.12 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane-1,3-diamine is sourced from PubChem (CID 19902646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).