3-fluoro-N-prop-2-ynylpropan-1-amine

C6H10FN — CID 81106793

IUPAC3-fluoro-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCCCF
InChIInChI=1S/C6H10FN/c1-2-5-8-6-3-4-7/h1,8H,3-6H2
InChIKeyGNODVXSAGRXZKS-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.57
Rot. Bonds4

About 3-fluoro-N-prop-2-ynylpropan-1-amine

3-fluoro-N-prop-2-ynylpropan-1-amine (PubChem CID 81106793) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 3-fluoro-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-prop-2-ynylpropan-1-amine
PubChem CID81106793
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name3-fluoro-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCCCF
InChIInChI=1S/C6H10FN/c1-2-5-8-6-3-4-7/h1,8H,3-6H2
InChIKeyGNODVXSAGRXZKS-UHFFFAOYSA-N
XLogP0.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 3-fluoro-N-prop-2-ynylpropan-1-amine (CID 81106793) is 3-fluoro-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 3-fluoro-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 3-fluoro-N-prop-2-ynylpropan-1-amine is C#CCNCCCF.
What is the InChIKey of 3-fluoro-N-prop-2-ynylpropan-1-amine?
The InChIKey is GNODVXSAGRXZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-5-8-6-3-4-7/h1,8H,3-6H2.
What are the key properties of 3-fluoro-N-prop-2-ynylpropan-1-amine?
3-fluoro-N-prop-2-ynylpropan-1-amine has a molecular weight of 115.15 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 81106793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).