(1,2-difluoro-2-methylcyclopropyl) formate

C5H6F2O2 — CID 57162163

IUPAC(1,2-difluoro-2-methylcyclopropyl) formate
SMILESCC1(F)CC1(F)OC=O
InChIInChI=1S/C5H6F2O2/c1-4(6)2-5(4,7)9-3-8/h3H,2H2,1H3
InChIKeyUXJCKELOOBNCNX-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.96
Rot. Bonds2

About (1,2-difluoro-2-methylcyclopropyl) formate

(1,2-difluoro-2-methylcyclopropyl) formate (PubChem CID 57162163) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is (1,2-difluoro-2-methylcyclopropyl) formate.

Molecular Properties

Compound Name(1,2-difluoro-2-methylcyclopropyl) formate
PubChem CID57162163
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Name(1,2-difluoro-2-methylcyclopropyl) formate
SMILESCC1(F)CC1(F)OC=O
InChIInChI=1S/C5H6F2O2/c1-4(6)2-5(4,7)9-3-8/h3H,2H2,1H3
InChIKeyUXJCKELOOBNCNX-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2-difluoro-2-methylcyclopropyl) formate?
The IUPAC name of (1,2-difluoro-2-methylcyclopropyl) formate (CID 57162163) is (1,2-difluoro-2-methylcyclopropyl) formate.
What is the SMILES notation for (1,2-difluoro-2-methylcyclopropyl) formate?
The canonical SMILES for (1,2-difluoro-2-methylcyclopropyl) formate is CC1(F)CC1(F)OC=O.
What is the InChIKey of (1,2-difluoro-2-methylcyclopropyl) formate?
The InChIKey is UXJCKELOOBNCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O2/c1-4(6)2-5(4,7)9-3-8/h3H,2H2,1H3.
What are the key properties of (1,2-difluoro-2-methylcyclopropyl) formate?
(1,2-difluoro-2-methylcyclopropyl) formate has a molecular weight of 136.10 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-difluoro-2-methylcyclopropyl) formate is sourced from PubChem (CID 57162163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).