formic acid;3,3,3-trifluoro-2-methylprop-1-ene

C5H7F3O2 — CID 169187279

IUPACformic acid;3,3,3-trifluoro-2-methylprop-1-ene
SMILESC=C(C)C(F)(F)F.O=CO
InChIInChI=1S/C4H5F3.CH2O2/c1-3(2)4(5,6)7;2-1-3/h1H2,2H3;1H,(H,2,3)
InChIKeyJGCAEDZBERIRTO-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.83
Rot. Bonds

About formic acid;3,3,3-trifluoro-2-methylprop-1-ene

formic acid;3,3,3-trifluoro-2-methylprop-1-ene (PubChem CID 169187279) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is formic acid;3,3,3-trifluoro-2-methylprop-1-ene.

Molecular Properties

Compound Nameformic acid;3,3,3-trifluoro-2-methylprop-1-ene
PubChem CID169187279
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Nameformic acid;3,3,3-trifluoro-2-methylprop-1-ene
SMILESC=C(C)C(F)(F)F.O=CO
InChIInChI=1S/C4H5F3.CH2O2/c1-3(2)4(5,6)7;2-1-3/h1H2,2H3;1H,(H,2,3)
InChIKeyJGCAEDZBERIRTO-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;formic acid;2,2,2-trifluoroacetic acid
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2-(trifluoromethyl)prop-2-enal
CID 6328846
azane;formic acid;2,2,2-trifluoroacetic acid
CID 174575097
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
formic acid;zinc;hydrochloride
CID 173357593
(E)-2-methylidene-3-(trifluoromethyl)pent-3-enal
CID 143603950
hydroxyformaldehyde
CID 11672690
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340
acetic acid;formic acid;hydrogen peroxide
CID 172718921
formaldehyde;formic acid;methane;methanol
CID 172740588
2-methyl(113C)prop-2-enal
CID 71749931

Frequently Asked Questions

What is the IUPAC name of formic acid;3,3,3-trifluoro-2-methylprop-1-ene?
The IUPAC name of formic acid;3,3,3-trifluoro-2-methylprop-1-ene (CID 169187279) is formic acid;3,3,3-trifluoro-2-methylprop-1-ene.
What is the SMILES notation for formic acid;3,3,3-trifluoro-2-methylprop-1-ene?
The canonical SMILES for formic acid;3,3,3-trifluoro-2-methylprop-1-ene is C=C(C)C(F)(F)F.O=CO.
What is the InChIKey of formic acid;3,3,3-trifluoro-2-methylprop-1-ene?
The InChIKey is JGCAEDZBERIRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3.CH2O2/c1-3(2)4(5,6)7;2-1-3/h1H2,2H3;1H,(H,2,3).
What are the key properties of formic acid;3,3,3-trifluoro-2-methylprop-1-ene?
formic acid;3,3,3-trifluoro-2-methylprop-1-ene has a molecular weight of 156.10 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3,3,3-trifluoro-2-methylprop-1-ene is sourced from PubChem (CID 169187279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).