2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine

C11H23F2N — CID 88581242

IUPAC2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine
SMILESCC(C)CCCC(F)(F)CNC(C)C
InChIInChI=1S/C11H23F2N/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyJBNKVYRABULKCU-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.45
Rot. Bonds7

About 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine

2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine (PubChem CID 88581242) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine
PubChem CID88581242
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine
SMILESCC(C)CCCC(F)(F)CNC(C)C
InChIInChI=1S/C11H23F2N/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyJBNKVYRABULKCU-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine?
The IUPAC name of 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine (CID 88581242) is 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine?
The canonical SMILES for 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine is CC(C)CCCC(F)(F)CNC(C)C.
What is the InChIKey of 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine?
The InChIKey is JBNKVYRABULKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine?
2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 88581242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).