N-ethyl-2,2-difluoroethanamine

C4H9F2N — CID 43163694

IUPACN-ethyl-2,2-difluoroethanamine
SMILESCCNCC(F)F
InChIInChI=1S/C4H9F2N/c1-2-7-3-4(5)6/h4,7H,2-3H2,1H3
InChIKeyUKCJPWSGPORHQG-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.86
Rot. Bonds3

About N-ethyl-2,2-difluoroethanamine

N-ethyl-2,2-difluoroethanamine (PubChem CID 43163694) has the molecular formula C4H9F2N and a molecular weight of 109.12 g/mol. Its IUPAC name is N-ethyl-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoroethanamine
PubChem CID43163694
Molecular FormulaC4H9F2N
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC NameN-ethyl-2,2-difluoroethanamine
SMILESCCNCC(F)F
InChIInChI=1S/C4H9F2N/c1-2-7-3-4(5)6/h4,7H,2-3H2,1H3
InChIKeyUKCJPWSGPORHQG-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoroethanamine?
The IUPAC name of N-ethyl-2,2-difluoroethanamine (CID 43163694) is N-ethyl-2,2-difluoroethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoroethanamine?
The canonical SMILES for N-ethyl-2,2-difluoroethanamine is CCNCC(F)F.
What is the InChIKey of N-ethyl-2,2-difluoroethanamine?
The InChIKey is UKCJPWSGPORHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N/c1-2-7-3-4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of N-ethyl-2,2-difluoroethanamine?
N-ethyl-2,2-difluoroethanamine has a molecular weight of 109.12 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoroethanamine is sourced from PubChem (CID 43163694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).