N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine

C8H15F2N — CID 146611632

IUPACN-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine
SMILESCCN(C)CC1C(C)C1(F)F
InChIInChI=1S/C8H15F2N/c1-4-11(3)5-7-6(2)8(7,9)10/h6-7H,4-5H2,1-3H3
InChIKeyGPYUZNLFZDHFOA-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.84
Rot. Bonds3

About N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine

N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine (PubChem CID 146611632) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine
PubChem CID146611632
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine
SMILESCCN(C)CC1C(C)C1(F)F
InChIInChI=1S/C8H15F2N/c1-4-11(3)5-7-6(2)8(7,9)10/h6-7H,4-5H2,1-3H3
InChIKeyGPYUZNLFZDHFOA-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine (CID 146611632) is N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine is CCN(C)CC1C(C)C1(F)F.
What is the InChIKey of N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine?
The InChIKey is GPYUZNLFZDHFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-11(3)5-7-6(2)8(7,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine?
N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine has a molecular weight of 163.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluoro-3-methylcyclopropyl)methyl]-N-methylethanamine is sourced from PubChem (CID 146611632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).