N-ethyl-2,2-difluoroethanamine;hydrochloride

C4H10ClF2N — CID 53484491

IUPACN-ethyl-2,2-difluoroethanamine;hydrochloride
SMILESCCNCC(F)F.Cl
InChIInChI=1S/C4H9F2N.ClH/c1-2-7-3-4(5)6;/h4,7H,2-3H2,1H3;1H
InChIKeyINSZFHISQWNNGS-UHFFFAOYSA-N
MW145.58 g/mol
LogP1.28
Rot. Bonds3

About N-ethyl-2,2-difluoroethanamine;hydrochloride

N-ethyl-2,2-difluoroethanamine;hydrochloride (PubChem CID 53484491) has the molecular formula C4H10ClF2N and a molecular weight of 145.58 g/mol. Its IUPAC name is N-ethyl-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2,2-difluoroethanamine;hydrochloride
PubChem CID53484491
Molecular FormulaC4H10ClF2N
Molecular Weight145.58 g/mol
Exact Mass145.05
IUPAC NameN-ethyl-2,2-difluoroethanamine;hydrochloride
SMILESCCNCC(F)F.Cl
InChIInChI=1S/C4H9F2N.ClH/c1-2-7-3-4(5)6;/h4,7H,2-3H2,1H3;1H
InChIKeyINSZFHISQWNNGS-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.58
LogP ≤ 51.28
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;hydrochloride?
The IUPAC name of N-ethyl-2,2-difluoroethanamine;hydrochloride (CID 53484491) is N-ethyl-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2,2-difluoroethanamine;hydrochloride is CCNCC(F)F.Cl.
What is the InChIKey of N-ethyl-2,2-difluoroethanamine;hydrochloride?
The InChIKey is INSZFHISQWNNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N.ClH/c1-2-7-3-4(5)6;/h4,7H,2-3H2,1H3;1H.
What are the key properties of N-ethyl-2,2-difluoroethanamine;hydrochloride?
N-ethyl-2,2-difluoroethanamine;hydrochloride has a molecular weight of 145.58 g/mol, XLogP of 1.28, 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;hydrochloride is sourced from PubChem (CID 53484491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).