2-fluoro-N'-phenylpropane-1,3-diamine

C9H13FN2 — CID 105433807

IUPAC2-fluoro-N'-phenylpropane-1,3-diamine
SMILESNCC(F)CNc1ccccc1
InChIInChI=1S/C9H13FN2/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7,11H2
InChIKeyWPISVJAYEWTVEH-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.40
Rot. Bonds4

About 2-fluoro-N'-phenylpropane-1,3-diamine

2-fluoro-N'-phenylpropane-1,3-diamine (PubChem CID 105433807) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-fluoro-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-N'-phenylpropane-1,3-diamine
PubChem CID105433807
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name2-fluoro-N'-phenylpropane-1,3-diamine
SMILESNCC(F)CNc1ccccc1
InChIInChI=1S/C9H13FN2/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7,11H2
InChIKeyWPISVJAYEWTVEH-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-phenylpropane-1,3-diamine?
The IUPAC name of 2-fluoro-N'-phenylpropane-1,3-diamine (CID 105433807) is 2-fluoro-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for 2-fluoro-N'-phenylpropane-1,3-diamine?
The canonical SMILES for 2-fluoro-N'-phenylpropane-1,3-diamine is NCC(F)CNc1ccccc1.
What is the InChIKey of 2-fluoro-N'-phenylpropane-1,3-diamine?
The InChIKey is WPISVJAYEWTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7,11H2.
What are the key properties of 2-fluoro-N'-phenylpropane-1,3-diamine?
2-fluoro-N'-phenylpropane-1,3-diamine has a molecular weight of 168.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 105433807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).