3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

C9H18FNO2 — CID 104760940

IUPAC3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCOC1(CNCCCF)CCOC1
InChIInChI=1S/C9H18FNO2/c1-12-9(3-6-13-8-9)7-11-5-2-4-10/h11H,2-8H2,1H3
InChIKeyCNVDPFGFCGVSMI-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.74
Rot. Bonds6

About 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (PubChem CID 104760940) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
PubChem CID104760940
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCOC1(CNCCCF)CCOC1
InChIInChI=1S/C9H18FNO2/c1-12-9(3-6-13-8-9)7-11-5-2-4-10/h11H,2-8H2,1H3
InChIKeyCNVDPFGFCGVSMI-UHFFFAOYSA-N
XLogP0.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (CID 104760940) is 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is COC1(CNCCCF)CCOC1.
What is the InChIKey of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The InChIKey is CNVDPFGFCGVSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-12-9(3-6-13-8-9)7-11-5-2-4-10/h11H,2-8H2,1H3.
What are the key properties of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine has a molecular weight of 191.25 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104760940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).