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

C8H16F3NO — CID 66276296

IUPAC5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(OCCCCCN)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(8(9,10)11)13-6-4-2-3-5-12/h7H,2-6,12H2,1H3
InChIKeyXLLVEJXNMHKKHJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.08
Rot. Bonds6

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

5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (PubChem CID 66276296) 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-1-amine.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
PubChem CID66276296
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(OCCCCCN)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(8(9,10)11)13-6-4-2-3-5-12/h7H,2-6,12H2,1H3
InChIKeyXLLVEJXNMHKKHJ-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-1-amine?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (CID 66276296) is 5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is CC(OCCCCCN)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The InChIKey is XLLVEJXNMHKKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(8(9,10)11)13-6-4-2-3-5-12/h7H,2-6,12H2,1H3.
What are the key properties of 5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 2.08, 6 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-1-amine is sourced from PubChem (CID 66276296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).