5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine

C8H16F3NO — CID 66274577

IUPAC5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
SMILESCC(N)CCCOC(C)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(12)4-3-5-13-7(2)8(9,10)11/h6-7H,3-5,12H2,1-2H3
InChIKeyNOTJPSRIDSLDDS-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.08
Rot. Bonds5

About 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine

5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine (PubChem CID 66274577) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
PubChem CID66274577
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
SMILESCC(N)CCCOC(C)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(12)4-3-5-13-7(2)8(9,10)11/h6-7H,3-5,12H2,1-2H3
InChIKeyNOTJPSRIDSLDDS-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine (CID 66274577) is 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine is CC(N)CCCOC(C)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The InChIKey is NOTJPSRIDSLDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(12)4-3-5-13-7(2)8(9,10)11/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine has a molecular weight of 199.22 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine is sourced from PubChem (CID 66274577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).