cyclopropane;1,2-difluorobenzene;formic acid

C10H12F2O2 — CID 145194538

IUPACcyclopropane;1,2-difluorobenzene;formic acid
SMILESC1CC1.Fc1ccccc1F.O=CO
InChIInChI=1S/C6H4F2.C3H6.CH2O2/c7-5-3-1-2-4-6(5)8;1-2-3-1;2-1-3/h1-4H;1-3H2;1H,(H,2,3)
InChIKeyMNNDQWBMPGAUNJ-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.84
Rot. Bonds

About cyclopropane;1,2-difluorobenzene;formic acid

cyclopropane;1,2-difluorobenzene;formic acid (PubChem CID 145194538) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is cyclopropane;1,2-difluorobenzene;formic acid.

Molecular Properties

Compound Namecyclopropane;1,2-difluorobenzene;formic acid
PubChem CID145194538
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Namecyclopropane;1,2-difluorobenzene;formic acid
SMILESC1CC1.Fc1ccccc1F.O=CO
InChIInChI=1S/C6H4F2.C3H6.CH2O2/c7-5-3-1-2-4-6(5)8;1-2-3-1;2-1-3/h1-4H;1-3H2;1H,(H,2,3)
InChIKeyMNNDQWBMPGAUNJ-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.84
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;1,2-difluorobenzene;formic acid?
The IUPAC name of cyclopropane;1,2-difluorobenzene;formic acid (CID 145194538) is cyclopropane;1,2-difluorobenzene;formic acid.
What is the SMILES notation for cyclopropane;1,2-difluorobenzene;formic acid?
The canonical SMILES for cyclopropane;1,2-difluorobenzene;formic acid is C1CC1.Fc1ccccc1F.O=CO.
What is the InChIKey of cyclopropane;1,2-difluorobenzene;formic acid?
The InChIKey is MNNDQWBMPGAUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.C3H6.CH2O2/c7-5-3-1-2-4-6(5)8;1-2-3-1;2-1-3/h1-4H;1-3H2;1H,(H,2,3).
What are the key properties of cyclopropane;1,2-difluorobenzene;formic acid?
cyclopropane;1,2-difluorobenzene;formic acid has a molecular weight of 202.20 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1,2-difluorobenzene;formic acid is sourced from PubChem (CID 145194538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).