2,2-difluoro-N,6-dimethylheptan-1-amine

C9H19F2N — CID 88588168

IUPAC2,2-difluoro-N,6-dimethylheptan-1-amine
SMILESCNCC(F)(F)CCCC(C)C
InChIInChI=1S/C9H19F2N/c1-8(2)5-4-6-9(10,11)7-12-3/h8,12H,4-7H2,1-3H3
InChIKeyAEXMXLKMQBLXTO-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.67
Rot. Bonds6

About 2,2-difluoro-N,6-dimethylheptan-1-amine

2,2-difluoro-N,6-dimethylheptan-1-amine (PubChem CID 88588168) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is 2,2-difluoro-N,6-dimethylheptan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N,6-dimethylheptan-1-amine
PubChem CID88588168
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name2,2-difluoro-N,6-dimethylheptan-1-amine
SMILESCNCC(F)(F)CCCC(C)C
InChIInChI=1S/C9H19F2N/c1-8(2)5-4-6-9(10,11)7-12-3/h8,12H,4-7H2,1-3H3
InChIKeyAEXMXLKMQBLXTO-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,6-dimethylheptan-1-amine?
The IUPAC name of 2,2-difluoro-N,6-dimethylheptan-1-amine (CID 88588168) is 2,2-difluoro-N,6-dimethylheptan-1-amine.
What is the SMILES notation for 2,2-difluoro-N,6-dimethylheptan-1-amine?
The canonical SMILES for 2,2-difluoro-N,6-dimethylheptan-1-amine is CNCC(F)(F)CCCC(C)C.
What is the InChIKey of 2,2-difluoro-N,6-dimethylheptan-1-amine?
The InChIKey is AEXMXLKMQBLXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-8(2)5-4-6-9(10,11)7-12-3/h8,12H,4-7H2,1-3H3.
What are the key properties of 2,2-difluoro-N,6-dimethylheptan-1-amine?
2,2-difluoro-N,6-dimethylheptan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,6-dimethylheptan-1-amine is sourced from PubChem (CID 88588168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).