1,1,1-trifluoro-5-methoxypentan-2-amine

C6H12F3NO — CID 64984887

IUPAC1,1,1-trifluoro-5-methoxypentan-2-amine
SMILESCOCCCC(N)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-2-3-5(10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQFAMVBIHUXOHPN-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.30
Rot. Bonds4

About 1,1,1-trifluoro-5-methoxypentan-2-amine

1,1,1-trifluoro-5-methoxypentan-2-amine (PubChem CID 64984887) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxypentan-2-amine
PubChem CID64984887
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1,1,1-trifluoro-5-methoxypentan-2-amine
SMILESCOCCCC(N)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-2-3-5(10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQFAMVBIHUXOHPN-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.30
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-methoxypentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxypentan-2-amine (CID 64984887) is 1,1,1-trifluoro-5-methoxypentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxypentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxypentan-2-amine is COCCCC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methoxypentan-2-amine?
The InChIKey is QFAMVBIHUXOHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-11-4-2-3-5(10)6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-methoxypentan-2-amine?
1,1,1-trifluoro-5-methoxypentan-2-amine has a molecular weight of 171.16 g/mol, XLogP of 1.30, 4 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-methoxypentan-2-amine is sourced from PubChem (CID 64984887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).