N-ethyl-2,3-difluoro-N-methylpropan-1-amine

C6H13F2N — CID 59154861

IUPACN-ethyl-2,3-difluoro-N-methylpropan-1-amine
SMILESCCN(C)CC(F)CF
InChIInChI=1S/C6H13F2N/c1-3-9(2)5-6(8)4-7/h6H,3-5H2,1-2H3
InChIKeyZCOCFFQSPQJPEG-UHFFFAOYSA-N
MW137.17 g/mol
LogP1.25
Rot. Bonds4

About N-ethyl-2,3-difluoro-N-methylpropan-1-amine

N-ethyl-2,3-difluoro-N-methylpropan-1-amine (PubChem CID 59154861) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is N-ethyl-2,3-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-difluoro-N-methylpropan-1-amine
PubChem CID59154861
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC NameN-ethyl-2,3-difluoro-N-methylpropan-1-amine
SMILESCCN(C)CC(F)CF
InChIInChI=1S/C6H13F2N/c1-3-9(2)5-6(8)4-7/h6H,3-5H2,1-2H3
InChIKeyZCOCFFQSPQJPEG-UHFFFAOYSA-N
XLogP1.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-difluoro-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-2,3-difluoro-N-methylpropan-1-amine (CID 59154861) is N-ethyl-2,3-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-2,3-difluoro-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-2,3-difluoro-N-methylpropan-1-amine is CCN(C)CC(F)CF.
What is the InChIKey of N-ethyl-2,3-difluoro-N-methylpropan-1-amine?
The InChIKey is ZCOCFFQSPQJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N/c1-3-9(2)5-6(8)4-7/h6H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2,3-difluoro-N-methylpropan-1-amine?
N-ethyl-2,3-difluoro-N-methylpropan-1-amine has a molecular weight of 137.17 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 59154861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).