1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine

C9H18F3NO — CID 66467039

IUPAC1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-6-13-8(9(10,11)12)5-4-7-14-2/h8,13H,3-7H2,1-2H3
InChIKeyAFMQOSQFUARCPP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds7

About 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine

1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine (PubChem CID 66467039) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine
PubChem CID66467039
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-6-13-8(9(10,11)12)5-4-7-14-2/h8,13H,3-7H2,1-2H3
InChIKeyAFMQOSQFUARCPP-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
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 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine (CID 66467039) is 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine is CCCNC(CCCOC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine?
The InChIKey is AFMQOSQFUARCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-6-13-8(9(10,11)12)5-4-7-14-2/h8,13H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine?
1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 66467039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).