2-fluoro-2-prop-2-ynylpropane-1,3-diamine

C6H11FN2 — CID 122239547

IUPAC2-fluoro-2-prop-2-ynylpropane-1,3-diamine
SMILESC#CCC(F)(CN)CN
InChIInChI=1S/C6H11FN2/c1-2-3-6(7,4-8)5-9/h1H,3-5,8-9H2
InChIKeyRXBFHNVJNVQOTE-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.36
Rot. Bonds3

About 2-fluoro-2-prop-2-ynylpropane-1,3-diamine

2-fluoro-2-prop-2-ynylpropane-1,3-diamine (PubChem CID 122239547) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-fluoro-2-prop-2-ynylpropane-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-2-prop-2-ynylpropane-1,3-diamine
PubChem CID122239547
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-fluoro-2-prop-2-ynylpropane-1,3-diamine
SMILESC#CCC(F)(CN)CN
InChIInChI=1S/C6H11FN2/c1-2-3-6(7,4-8)5-9/h1H,3-5,8-9H2
InChIKeyRXBFHNVJNVQOTE-UHFFFAOYSA-N
XLogP-0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-prop-2-ynylpropane-1,3-diamine?
The IUPAC name of 2-fluoro-2-prop-2-ynylpropane-1,3-diamine (CID 122239547) is 2-fluoro-2-prop-2-ynylpropane-1,3-diamine.
What is the SMILES notation for 2-fluoro-2-prop-2-ynylpropane-1,3-diamine?
The canonical SMILES for 2-fluoro-2-prop-2-ynylpropane-1,3-diamine is C#CCC(F)(CN)CN.
What is the InChIKey of 2-fluoro-2-prop-2-ynylpropane-1,3-diamine?
The InChIKey is RXBFHNVJNVQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-2-3-6(7,4-8)5-9/h1H,3-5,8-9H2.
What are the key properties of 2-fluoro-2-prop-2-ynylpropane-1,3-diamine?
2-fluoro-2-prop-2-ynylpropane-1,3-diamine has a molecular weight of 130.17 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-prop-2-ynylpropane-1,3-diamine is sourced from PubChem (CID 122239547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).