1-(2,6-difluorophenyl)ethyl formate

C9H8F2O2 — CID 141266097

IUPAC1-(2,6-difluorophenyl)ethyl formate
SMILESCC(OC=O)c1c(F)cccc1F
InChIInChI=1S/C9H8F2O2/c1-6(13-5-12)9-7(10)3-2-4-8(9)11/h2-6H,1H3
InChIKeyACHGJAMOJHBDCA-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.20
Rot. Bonds3

About 1-(2,6-difluorophenyl)ethyl formate

1-(2,6-difluorophenyl)ethyl formate (PubChem CID 141266097) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)ethyl formate.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)ethyl formate
PubChem CID141266097
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name1-(2,6-difluorophenyl)ethyl formate
SMILESCC(OC=O)c1c(F)cccc1F
InChIInChI=1S/C9H8F2O2/c1-6(13-5-12)9-7(10)3-2-4-8(9)11/h2-6H,1H3
InChIKeyACHGJAMOJHBDCA-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-phenylethyl] formate
CID 76963066
1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
CID 91717246
1-(3-methylphenyl)ethyl formate
CID 118679969
tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
CID 91734918
1-(2,6-difluorophenyl)ethanol
CID 5012075
2,6-difluorobenzaldehyde;(1S)-1-(2,6-difluorophenyl)ethanamine;methane;chloride
CID 159985297
3-[3-fluoro-2-(1-fluoroethyl)phenyl]butanal
CID 117302958
3-[3-fluoro-2-(1-fluoroethyl)phenyl]propanal
CID 117287739
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline
CID 58022078
1-quinoxalin-2-ylethyl formate
CID 174662110

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)ethyl formate?
The IUPAC name of 1-(2,6-difluorophenyl)ethyl formate (CID 141266097) is 1-(2,6-difluorophenyl)ethyl formate.
What is the SMILES notation for 1-(2,6-difluorophenyl)ethyl formate?
The canonical SMILES for 1-(2,6-difluorophenyl)ethyl formate is CC(OC=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)ethyl formate?
The InChIKey is ACHGJAMOJHBDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-6(13-5-12)9-7(10)3-2-4-8(9)11/h2-6H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)ethyl formate?
1-(2,6-difluorophenyl)ethyl formate has a molecular weight of 186.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)ethyl formate is sourced from PubChem (CID 141266097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).