2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine

C8H13F4NO — CID 103529614

IUPAC2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine
SMILESCC1OCCC1NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-5-6(2-3-14-5)13-4-8(11,12)7(9)10/h5-7,13H,2-4H2,1H3
InChIKeyLHHVTWXVWKVUTP-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.65
Rot. Bonds4

About 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine

2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine (PubChem CID 103529614) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine
PubChem CID103529614
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine
SMILESCC1OCCC1NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-5-6(2-3-14-5)13-4-8(11,12)7(9)10/h5-7,13H,2-4H2,1H3
InChIKeyLHHVTWXVWKVUTP-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.65
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 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine (CID 103529614) is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine is CC1OCCC1NCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine?
The InChIKey is LHHVTWXVWKVUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-5-6(2-3-14-5)13-4-8(11,12)7(9)10/h5-7,13H,2-4H2,1H3.
What are the key properties of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine?
2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine has a molecular weight of 215.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)oxolan-3-amine is sourced from PubChem (CID 103529614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).