2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine

C8H13F4NO — CID 45283132

IUPAC2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCCO1
InChIInChI=1S/C8H13F4NO/c9-7(10)8(11,12)5-13-4-6-2-1-3-14-6/h6-7,13H,1-5H2
InChIKeyYANJWPGLCGIWTC-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.66
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 45283132) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID45283132
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCCO1
InChIInChI=1S/C8H13F4NO/c9-7(10)8(11,12)5-13-4-6-2-1-3-14-6/h6-7,13H,1-5H2
InChIKeyYANJWPGLCGIWTC-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.66
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 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine (CID 45283132) is 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine is FC(F)C(F)(F)CNCC1CCCO1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is YANJWPGLCGIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c9-7(10)8(11,12)5-13-4-6-2-1-3-14-6/h6-7,13H,1-5H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 215.19 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 45283132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).