3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate

C9H20B3F15NO-3 — CID 173031956

IUPAC3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate
SMILESCCC(N)(CC)CCOC.FC(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H19NO.CHF3.3BF4/c1-4-8(9,5-2)6-7-10-3;2-1(3)4;3*2-1(3,4)5/h4-7,9H2,1-3H3;1H;;;/q;;3*-1
InChIKeyXJHORODFQJCTMT-UHFFFAOYSA-N
MW475.67 g/mol
LogP6.62
Rot. Bonds5

About 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate

3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate (PubChem CID 173031956) has the molecular formula C9H20B3F15NO-3 and a molecular weight of 475.67 g/mol. Its IUPAC name is 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate.

Molecular Properties

Compound Name3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate
PubChem CID173031956
Molecular FormulaC9H20B3F15NO-3
Molecular Weight475.67 g/mol
Exact Mass476.16
IUPAC Name3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate
SMILESCCC(N)(CC)CCOC.FC(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H19NO.CHF3.3BF4/c1-4-8(9,5-2)6-7-10-3;2-1(3)4;3*2-1(3,4)5/h4-7,9H2,1-3H3;1H;;;/q;;3*-1
InChIKeyXJHORODFQJCTMT-UHFFFAOYSA-N
XLogP6.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.67
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1-methoxypentan-3-amine;1,1,1,2,2-pentafluoroethane;tritetrafluoroborate
CID 173031963
3-Ethyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62620907
3-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62621834
(3-Ethyl-1-methoxypentan-3-yl)azanium tetrafluoroborate
CID 87204672

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate?
The IUPAC name of 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate (CID 173031956) is 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate.
What is the SMILES notation for 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate?
The canonical SMILES for 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate is CCC(N)(CC)CCOC.FC(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate?
The InChIKey is XJHORODFQJCTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.CHF3.3BF4/c1-4-8(9,5-2)6-7-10-3;2-1(3)4;3*2-1(3,4)5/h4-7,9H2,1-3H3;1H;;;/q;;3*-1.
What are the key properties of 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate?
3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate has a molecular weight of 475.67 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxypentan-3-amine;fluoroform;tritetrafluoroborate is sourced from PubChem (CID 173031956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).