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

C5H6F2O2 — CID 57225552

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

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

(2,2-difluoro-1-methylcyclopropyl) formate (PubChem CID 57225552) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is (2,2-difluoro-1-methylcyclopropyl) formate.

Molecular Properties

Compound Name(2,2-difluoro-1-methylcyclopropyl) formate
PubChem CID57225552
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Name(2,2-difluoro-1-methylcyclopropyl) formate
SMILESCC1(OC=O)CC1(F)F
InChIInChI=1S/C5H6F2O2/c1-4(9-3-8)2-5(4,6)7/h3H,2H2,1H3
InChIKeyXTZZTFVBDAVVDA-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'}

Analyze (2,2-difluoro-1-methylcyclopropyl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,2-Difluoro-2-methylcyclopropyl) formate
CID 57162163
(1,1,1-Trifluoro-2-methylpropan-2-yl) formate
CID 57445141
[1-(Trifluoromethyl)cyclopropyl] formate
CID 87139696
(1,2-Difluorocyclopropyl) formate
CID 90696388
(1,1-Difluoro-2-methylpropan-2-yl) formate
CID 143358524
(1,1,1-Trifluoro-2-methylbutan-2-yl) formate
CID 162773826
Tert-butyl formate;fluorocyclopropane
CID 160163953

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-methylcyclopropyl) formate?
The IUPAC name of (2,2-difluoro-1-methylcyclopropyl) formate (CID 57225552) is (2,2-difluoro-1-methylcyclopropyl) formate.
What is the SMILES notation for (2,2-difluoro-1-methylcyclopropyl) formate?
The canonical SMILES for (2,2-difluoro-1-methylcyclopropyl) formate is CC1(OC=O)CC1(F)F.
What is the InChIKey of (2,2-difluoro-1-methylcyclopropyl) formate?
The InChIKey is XTZZTFVBDAVVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O2/c1-4(9-3-8)2-5(4,6)7/h3H,2H2,1H3.
What are the key properties of (2,2-difluoro-1-methylcyclopropyl) formate?
(2,2-difluoro-1-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 (2,2-difluoro-1-methylcyclopropyl) formate is sourced from PubChem (CID 57225552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).