2,2-difluoro-N-(2-methoxyethyl)butan-1-amine

C7H15F2NO — CID 158746366

IUPAC2,2-difluoro-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(F)(F)CNCCOC
InChIInChI=1S/C7H15F2NO/c1-3-7(8,9)6-10-4-5-11-2/h10H,3-6H2,1-2H3
InChIKeyKTSDOCBOWVSRFW-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.27
Rot. Bonds6

About 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine

2,2-difluoro-N-(2-methoxyethyl)butan-1-amine (PubChem CID 158746366) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methoxyethyl)butan-1-amine
PubChem CID158746366
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2,2-difluoro-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(F)(F)CNCCOC
InChIInChI=1S/C7H15F2NO/c1-3-7(8,9)6-10-4-5-11-2/h10H,3-6H2,1-2H3
InChIKeyKTSDOCBOWVSRFW-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.27
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 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine (CID 158746366) is 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine is CCC(F)(F)CNCCOC.
What is the InChIKey of 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is KTSDOCBOWVSRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-3-7(8,9)6-10-4-5-11-2/h10H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine?
2,2-difluoro-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 167.20 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 158746366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).