1-N-(fluoromethyl)prop-2-ene-1,2-diamine

C4H9FN2 — CID 89441578

IUPAC1-N-(fluoromethyl)prop-2-ene-1,2-diamine
SMILESC=C(N)CNCF
InChIInChI=1S/C4H9FN2/c1-4(6)2-7-3-5/h7H,1-3,6H2
InChIKeyWSJYTSNHUIUTHA-UHFFFAOYSA-N
MW104.13 g/mol
LogP-0.02
Rot. Bonds3

About 1-N-(fluoromethyl)prop-2-ene-1,2-diamine

1-N-(fluoromethyl)prop-2-ene-1,2-diamine (PubChem CID 89441578) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 1-N-(fluoromethyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-(fluoromethyl)prop-2-ene-1,2-diamine
PubChem CID89441578
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name1-N-(fluoromethyl)prop-2-ene-1,2-diamine
SMILESC=C(N)CNCF
InChIInChI=1S/C4H9FN2/c1-4(6)2-7-3-5/h7H,1-3,6H2
InChIKeyWSJYTSNHUIUTHA-UHFFFAOYSA-N
XLogP-0.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(fluoromethyl)prop-2-ene-1,2-diamine?
The IUPAC name of 1-N-(fluoromethyl)prop-2-ene-1,2-diamine (CID 89441578) is 1-N-(fluoromethyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-(fluoromethyl)prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-(fluoromethyl)prop-2-ene-1,2-diamine is C=C(N)CNCF.
What is the InChIKey of 1-N-(fluoromethyl)prop-2-ene-1,2-diamine?
The InChIKey is WSJYTSNHUIUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c1-4(6)2-7-3-5/h7H,1-3,6H2.
What are the key properties of 1-N-(fluoromethyl)prop-2-ene-1,2-diamine?
1-N-(fluoromethyl)prop-2-ene-1,2-diamine has a molecular weight of 104.13 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 1-N-(fluoromethyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 89441578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).