7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine

C10H20F3NO2 — CID 102927834

IUPAC7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine
SMILESCOCCOCCC(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-15-7-8-16-6-4-9(14)3-2-5-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyNBOCEDSPVCIJRD-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.10
Rot. Bonds9

About 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine

7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine (PubChem CID 102927834) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine
PubChem CID102927834
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine
SMILESCOCCOCCC(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-15-7-8-16-6-4-9(14)3-2-5-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyNBOCEDSPVCIJRD-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine (CID 102927834) is 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine is COCCOCCC(N)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine?
The InChIKey is NBOCEDSPVCIJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-15-7-8-16-6-4-9(14)3-2-5-10(11,12)13/h9H,2-8,14H2,1H3.
What are the key properties of 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine?
7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine has a molecular weight of 243.27 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-(2-methoxyethoxy)heptan-3-amine is sourced from PubChem (CID 102927834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).