cyclopropane;formic acid;trifluoromethylbenzene

C11H13F3O2 — CID 153353852

IUPACcyclopropane;formic acid;trifluoromethylbenzene
SMILESC1CC1.FC(F)(F)c1ccccc1.O=CO
InChIInChI=1S/C7H5F3.C3H6.CH2O2/c8-7(9,10)6-4-2-1-3-5-6;1-2-3-1;2-1-3/h1-5H;1-3H2;1H,(H,2,3)
InChIKeyDXCSCTXHLMTNGA-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.58
Rot. Bonds

About cyclopropane;formic acid;trifluoromethylbenzene

cyclopropane;formic acid;trifluoromethylbenzene (PubChem CID 153353852) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is cyclopropane;formic acid;trifluoromethylbenzene.

Molecular Properties

Compound Namecyclopropane;formic acid;trifluoromethylbenzene
PubChem CID153353852
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Namecyclopropane;formic acid;trifluoromethylbenzene
SMILESC1CC1.FC(F)(F)c1ccccc1.O=CO
InChIInChI=1S/C7H5F3.C3H6.CH2O2/c8-7(9,10)6-4-2-1-3-5-6;1-2-3-1;2-1-3/h1-5H;1-3H2;1H,(H,2,3)
InChIKeyDXCSCTXHLMTNGA-UHFFFAOYSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;formic acid;trifluoromethylbenzene?
The IUPAC name of cyclopropane;formic acid;trifluoromethylbenzene (CID 153353852) is cyclopropane;formic acid;trifluoromethylbenzene.
What is the SMILES notation for cyclopropane;formic acid;trifluoromethylbenzene?
The canonical SMILES for cyclopropane;formic acid;trifluoromethylbenzene is C1CC1.FC(F)(F)c1ccccc1.O=CO.
What is the InChIKey of cyclopropane;formic acid;trifluoromethylbenzene?
The InChIKey is DXCSCTXHLMTNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.C3H6.CH2O2/c8-7(9,10)6-4-2-1-3-5-6;1-2-3-1;2-1-3/h1-5H;1-3H2;1H,(H,2,3).
What are the key properties of cyclopropane;formic acid;trifluoromethylbenzene?
cyclopropane;formic acid;trifluoromethylbenzene has a molecular weight of 234.22 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;formic acid;trifluoromethylbenzene is sourced from PubChem (CID 153353852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).