acetic acid;2,2-difluoroethanamine

C4H9F2NO2 — CID 87244303

IUPACacetic acid;2,2-difluoroethanamine
SMILESCC(=O)O.NCC(F)F
InChIInChI=1S/C2H5F2N.C2H4O2/c3-2(4)1-5;1-2(3)4/h2H,1,5H2;1H3,(H,3,4)
InChIKeyRHYZSBMBDKPEBI-UHFFFAOYSA-N
MW141.12 g/mol
LogP0.30
Rot. Bonds1

About acetic acid;2,2-difluoroethanamine

acetic acid;2,2-difluoroethanamine (PubChem CID 87244303) has the molecular formula C4H9F2NO2 and a molecular weight of 141.12 g/mol. Its IUPAC name is acetic acid;2,2-difluoroethanamine.

Molecular Properties

Compound Nameacetic acid;2,2-difluoroethanamine
PubChem CID87244303
Molecular FormulaC4H9F2NO2
Molecular Weight141.12 g/mol
Exact Mass141.06
IUPAC Nameacetic acid;2,2-difluoroethanamine
SMILESCC(=O)O.NCC(F)F
InChIInChI=1S/C2H5F2N.C2H4O2/c3-2(4)1-5;1-2(3)4/h2H,1,5H2;1H3,(H,3,4)
InChIKeyRHYZSBMBDKPEBI-UHFFFAOYSA-N
XLogP0.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-difluoroethanamine?
The IUPAC name of acetic acid;2,2-difluoroethanamine (CID 87244303) is acetic acid;2,2-difluoroethanamine.
What is the SMILES notation for acetic acid;2,2-difluoroethanamine?
The canonical SMILES for acetic acid;2,2-difluoroethanamine is CC(=O)O.NCC(F)F.
What is the InChIKey of acetic acid;2,2-difluoroethanamine?
The InChIKey is RHYZSBMBDKPEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2N.C2H4O2/c3-2(4)1-5;1-2(3)4/h2H,1,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;2,2-difluoroethanamine?
acetic acid;2,2-difluoroethanamine has a molecular weight of 141.12 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-difluoroethanamine is sourced from PubChem (CID 87244303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).