1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine

C9H19F2NO — CID 80605860

IUPAC1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
SMILESCNC(C)(CC(C)(C)OC)C(F)F
InChIInChI=1S/C9H19F2NO/c1-8(2,13-5)6-9(3,12-4)7(10)11/h7,12H,6H2,1-5H3
InChIKeyJNDLUXYHKBTDBF-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.04
Rot. Bonds5

About 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine

1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine (PubChem CID 80605860) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
PubChem CID80605860
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
SMILESCNC(C)(CC(C)(C)OC)C(F)F
InChIInChI=1S/C9H19F2NO/c1-8(2,13-5)6-9(3,12-4)7(10)11/h7,12H,6H2,1-5H3
InChIKeyJNDLUXYHKBTDBF-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
The IUPAC name of 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine (CID 80605860) is 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
The canonical SMILES for 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine is CNC(C)(CC(C)(C)OC)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
The InChIKey is JNDLUXYHKBTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(2,13-5)6-9(3,12-4)7(10)11/h7,12H,6H2,1-5H3.
What are the key properties of 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine has a molecular weight of 195.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine is sourced from PubChem (CID 80605860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).