[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine

C9H11F4NO2 — CID 62456003

IUPAC[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1COCC(F)(F)C(F)F
InChIInChI=1S/C9H11F4NO2/c10-8(11)9(12,13)5-15-4-7-6(3-14)1-2-16-7/h1-2,8H,3-5,14H2
InChIKeyCGSTZGWCUWUXIO-UHFFFAOYSA-N
MW241.18 g/mol
LogP2.16
Rot. Bonds6

About [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine

[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine (PubChem CID 62456003) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine
PubChem CID62456003
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1COCC(F)(F)C(F)F
InChIInChI=1S/C9H11F4NO2/c10-8(11)9(12,13)5-15-4-7-6(3-14)1-2-16-7/h1-2,8H,3-5,14H2
InChIKeyCGSTZGWCUWUXIO-UHFFFAOYSA-N
XLogP2.16
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine?
The IUPAC name of [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine (CID 62456003) is [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine is NCc1ccoc1COCC(F)(F)C(F)F.
What is the InChIKey of [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine?
The InChIKey is CGSTZGWCUWUXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2/c10-8(11)9(12,13)5-15-4-7-6(3-14)1-2-16-7/h1-2,8H,3-5,14H2.
What are the key properties of [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine?
[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine has a molecular weight of 241.18 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62456003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).