N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine

C8H12F5NO — CID 121294613

IUPACN-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine
SMILESFC(F)(F)C(F)(F)CNC1CCOCC1
InChIInChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)5-14-6-1-3-15-4-2-6/h6,14H,1-5H2
InChIKeyQHNPDLPOJKHZQQ-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.95
Rot. Bonds3

About N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine

N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine (PubChem CID 121294613) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine
PubChem CID121294613
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC NameN-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine
SMILESFC(F)(F)C(F)(F)CNC1CCOCC1
InChIInChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)5-14-6-1-3-15-4-2-6/h6,14H,1-5H2
InChIKeyQHNPDLPOJKHZQQ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.95
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 N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine?
The IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine (CID 121294613) is N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine.
What is the SMILES notation for N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine?
The canonical SMILES for N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine is FC(F)(F)C(F)(F)CNC1CCOCC1.
What is the InChIKey of N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine?
The InChIKey is QHNPDLPOJKHZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)5-14-6-1-3-15-4-2-6/h6,14H,1-5H2.
What are the key properties of N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine?
N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine has a molecular weight of 233.18 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine is sourced from PubChem (CID 121294613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).