2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine

C11H11F4NO — CID 107643833

IUPAC2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
SMILESCC1OCCC1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H11F4NO/c1-5-8(2-3-17-5)16-11-9(14)6(12)4-7(13)10(11)15/h4-5,8,16H,2-3H2,1H3
InChIKeyLLOBDLVXULUDRW-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.83
Rot. Bonds2

About 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine

2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine (PubChem CID 107643833) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
PubChem CID107643833
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
SMILESCC1OCCC1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H11F4NO/c1-5-8(2-3-17-5)16-11-9(14)6(12)4-7(13)10(11)15/h4-5,8,16H,2-3H2,1H3
InChIKeyLLOBDLVXULUDRW-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine (CID 107643833) is 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine is CC1OCCC1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine?
The InChIKey is LLOBDLVXULUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-5-8(2-3-17-5)16-11-9(14)6(12)4-7(13)10(11)15/h4-5,8,16H,2-3H2,1H3.
What are the key properties of 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine?
2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine has a molecular weight of 249.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine is sourced from PubChem (CID 107643833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).