acetic acid;2,2,2-trifluoroacetamide

C4H6F3NO3 — CID 172805732

IUPACacetic acid;2,2,2-trifluoroacetamide
SMILESCC(=O)O.NC(=O)C(F)(F)F
InChIInChI=1S/C2H2F3NO.C2H4O2/c3-2(4,5)1(6)7;1-2(3)4/h(H2,6,7);1H3,(H,3,4)
InChIKeyRMFFIGJGZHYITM-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.12
Rot. Bonds

About acetic acid;2,2,2-trifluoroacetamide

acetic acid;2,2,2-trifluoroacetamide (PubChem CID 172805732) has the molecular formula C4H6F3NO3 and a molecular weight of 173.09 g/mol. Its IUPAC name is acetic acid;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Nameacetic acid;2,2,2-trifluoroacetamide
PubChem CID172805732
Molecular FormulaC4H6F3NO3
Molecular Weight173.09 g/mol
Exact Mass173.03
IUPAC Nameacetic acid;2,2,2-trifluoroacetamide
SMILESCC(=O)O.NC(=O)C(F)(F)F
InChIInChI=1S/C2H2F3NO.C2H4O2/c3-2(4,5)1(6)7;1-2(3)4/h(H2,6,7);1H3,(H,3,4)
InChIKeyRMFFIGJGZHYITM-UHFFFAOYSA-N
XLogP0.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
2,2,2-trichloroacetamide;2,2,2-trifluoroacetamide
CID 138558233
acetic acid;chloro(trifluoro)methane
CID 88651424
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
lithium;acetic acid;2,2,2-trifluoroacetate
CID 89314712
acetic acid;carbamic acid;silane
CID 174514013
acetic acid;formic acid;2,2,2-trifluoroacetic acid
CID 162535427
acetic acid
CID 158444727
methanol;1,1,1-trifluoropropan-2-one
CID 143449036
acetic acid;pentakis(guanidine)
CID 174792068

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2,2-trifluoroacetamide?
The IUPAC name of acetic acid;2,2,2-trifluoroacetamide (CID 172805732) is acetic acid;2,2,2-trifluoroacetamide.
What is the SMILES notation for acetic acid;2,2,2-trifluoroacetamide?
The canonical SMILES for acetic acid;2,2,2-trifluoroacetamide is CC(=O)O.NC(=O)C(F)(F)F.
What is the InChIKey of acetic acid;2,2,2-trifluoroacetamide?
The InChIKey is RMFFIGJGZHYITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3NO.C2H4O2/c3-2(4,5)1(6)7;1-2(3)4/h(H2,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;2,2,2-trifluoroacetamide?
acetic acid;2,2,2-trifluoroacetamide has a molecular weight of 173.09 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2,2-trifluoroacetamide is sourced from PubChem (CID 172805732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).