(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine

C9H10F5NO — CID 131454371

IUPAC(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCc1cc([C@H](N)C(F)(F)C(F)(F)F)oc1C
InChIInChI=1S/C9H10F5NO/c1-4-3-6(16-5(4)2)7(15)8(10,11)9(12,13)14/h3,7H,15H2,1-2H3/t7-/m0/s1
InChIKeyUXKJAOGAXIUAGR-ZETCQYMHSA-N
MW243.18 g/mol
LogP3.09
Rot. Bonds2

About (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine

(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 131454371) has the molecular formula C9H10F5NO and a molecular weight of 243.18 g/mol. Its IUPAC name is (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID131454371
Molecular FormulaC9H10F5NO
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESCc1cc([C@H](N)C(F)(F)C(F)(F)F)oc1C
InChIInChI=1S/C9H10F5NO/c1-4-3-6(16-5(4)2)7(15)8(10,11)9(12,13)14/h3,7H,15H2,1-2H3/t7-/m0/s1
InChIKeyUXKJAOGAXIUAGR-ZETCQYMHSA-N
XLogP3.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 131454371) is (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine is Cc1cc([C@H](N)C(F)(F)C(F)(F)F)oc1C.
What is the InChIKey of (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is UXKJAOGAXIUAGR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10F5NO/c1-4-3-6(16-5(4)2)7(15)8(10,11)9(12,13)14/h3,7H,15H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 243.18 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 131454371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).