N-(3,4,5-trifluorophenyl)oxolan-3-amine

C10H10F3NO — CID 63335709

IUPACN-(3,4,5-trifluorophenyl)oxolan-3-amine
SMILESFc1cc(NC2CCOC2)cc(F)c1F
InChIInChI=1S/C10H10F3NO/c11-8-3-7(4-9(12)10(8)13)14-6-1-2-15-5-6/h3-4,6,14H,1-2,5H2
InChIKeyCUADBOPCUHTHCS-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.30
Rot. Bonds2

About N-(3,4,5-trifluorophenyl)oxolan-3-amine

N-(3,4,5-trifluorophenyl)oxolan-3-amine (PubChem CID 63335709) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(3,4,5-trifluorophenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3,4,5-trifluorophenyl)oxolan-3-amine
PubChem CID63335709
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-(3,4,5-trifluorophenyl)oxolan-3-amine
SMILESFc1cc(NC2CCOC2)cc(F)c1F
InChIInChI=1S/C10H10F3NO/c11-8-3-7(4-9(12)10(8)13)14-6-1-2-15-5-6/h3-4,6,14H,1-2,5H2
InChIKeyCUADBOPCUHTHCS-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trifluorophenyl)oxolan-3-amine?
The IUPAC name of N-(3,4,5-trifluorophenyl)oxolan-3-amine (CID 63335709) is N-(3,4,5-trifluorophenyl)oxolan-3-amine.
What is the SMILES notation for N-(3,4,5-trifluorophenyl)oxolan-3-amine?
The canonical SMILES for N-(3,4,5-trifluorophenyl)oxolan-3-amine is Fc1cc(NC2CCOC2)cc(F)c1F.
What is the InChIKey of N-(3,4,5-trifluorophenyl)oxolan-3-amine?
The InChIKey is CUADBOPCUHTHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-8-3-7(4-9(12)10(8)13)14-6-1-2-15-5-6/h3-4,6,14H,1-2,5H2.
What are the key properties of N-(3,4,5-trifluorophenyl)oxolan-3-amine?
N-(3,4,5-trifluorophenyl)oxolan-3-amine has a molecular weight of 217.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trifluorophenyl)oxolan-3-amine is sourced from PubChem (CID 63335709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).