3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine

C9H19F2N — CID 164589405

IUPAC3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine
SMILESCC(C)C(F)(F)C(C)CN(C)C
InChIInChI=1S/C9H19F2N/c1-7(2)9(10,11)8(3)6-12(4)5/h7-8H,6H2,1-5H3
InChIKeyIQVIBJHLCHPDRP-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.48
Rot. Bonds4

About 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine

3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine (PubChem CID 164589405) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine
PubChem CID164589405
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine
SMILESCC(C)C(F)(F)C(C)CN(C)C
InChIInChI=1S/C9H19F2N/c1-7(2)9(10,11)8(3)6-12(4)5/h7-8H,6H2,1-5H3
InChIKeyIQVIBJHLCHPDRP-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine?
The IUPAC name of 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine (CID 164589405) is 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine.
What is the SMILES notation for 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine?
The canonical SMILES for 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine is CC(C)C(F)(F)C(C)CN(C)C.
What is the InChIKey of 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine?
The InChIKey is IQVIBJHLCHPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-7(2)9(10,11)8(3)6-12(4)5/h7-8H,6H2,1-5H3.
What are the key properties of 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine?
3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,N,2,4-tetramethylpentan-1-amine is sourced from PubChem (CID 164589405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).