fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid

C6H8F4N2O2 — CID 174394781

IUPACfluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid
SMILESCF.O=C(O)C(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2HF3O2.CH3F/c1-2-4-5-3-1;3-2(4,5)1(6)7;1-2/h1-3H,(H,4,5);(H,6,7);1H3
InChIKeyBNKLCIQRIYTPQO-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.63
Rot. Bonds

About fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid

fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid (PubChem CID 174394781) has the molecular formula C6H8F4N2O2 and a molecular weight of 216.13 g/mol. Its IUPAC name is fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid
PubChem CID174394781
Molecular FormulaC6H8F4N2O2
Molecular Weight216.13 g/mol
Exact Mass216.05
IUPAC Namefluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid
SMILESCF.O=C(O)C(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2HF3O2.CH3F/c1-2-4-5-3-1;3-2(4,5)1(6)7;1-2/h1-3H,(H,4,5);(H,6,7);1H3
InChIKeyBNKLCIQRIYTPQO-UHFFFAOYSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid?
The IUPAC name of fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid (CID 174394781) is fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid is CF.O=C(O)C(F)(F)F.c1cn[nH]c1.
What is the InChIKey of fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid?
The InChIKey is BNKLCIQRIYTPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2HF3O2.CH3F/c1-2-4-5-3-1;3-2(4,5)1(6)7;1-2/h1-3H,(H,4,5);(H,6,7);1H3.
What are the key properties of fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid?
fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid has a molecular weight of 216.13 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1H-pyrazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174394781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).