2-(difluoromethyl)-6-fluorobenzaldehyde

C8H5F3O — CID 84654806

IUPAC2-(difluoromethyl)-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1C(F)F
InChIInChI=1S/C8H5F3O/c9-7-3-1-2-5(8(10)11)6(7)4-12/h1-4,8H
InChIKeyOYYFZVTWZNUBIS-UHFFFAOYSA-N
MW174.12 g/mol
LogP2.58
Rot. Bonds2

About 2-(difluoromethyl)-6-fluorobenzaldehyde

2-(difluoromethyl)-6-fluorobenzaldehyde (PubChem CID 84654806) has the molecular formula C8H5F3O and a molecular weight of 174.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluorobenzaldehyde
PubChem CID84654806
Molecular FormulaC8H5F3O
Molecular Weight174.12 g/mol
Exact Mass174.03
IUPAC Name2-(difluoromethyl)-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1C(F)F
InChIInChI=1S/C8H5F3O/c9-7-3-1-2-5(8(10)11)6(7)4-12/h1-4,8H
InChIKeyOYYFZVTWZNUBIS-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-6-hydroxybenzaldehyde
CID 84654276
2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde
CID 174983954
2-(4-amino-1,2-dihydroxybutyl)-6-fluorobenzaldehyde
CID 171881179
2-(2-bromopropanoyl)-6-(difluoromethyl)benzaldehyde
CID 170838184
1-(difluoromethyl)-8-fluoronaphthalene
CID 118841607
2,6-difluorobenzaldehyde;(1S)-1-(2,6-difluorophenyl)ethanamine;methane;chloride
CID 159985297
2-cyclopropyl-6-fluorobenzaldehyde
CID 87091239
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride
CID 176961439
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
(Z)-3-(2,6-difluorophenyl)prop-2-enal
CID 86308027

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluorobenzaldehyde?
The IUPAC name of 2-(difluoromethyl)-6-fluorobenzaldehyde (CID 84654806) is 2-(difluoromethyl)-6-fluorobenzaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-6-fluorobenzaldehyde?
The canonical SMILES for 2-(difluoromethyl)-6-fluorobenzaldehyde is O=Cc1c(F)cccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-fluorobenzaldehyde?
The InChIKey is OYYFZVTWZNUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O/c9-7-3-1-2-5(8(10)11)6(7)4-12/h1-4,8H.
What are the key properties of 2-(difluoromethyl)-6-fluorobenzaldehyde?
2-(difluoromethyl)-6-fluorobenzaldehyde has a molecular weight of 174.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluorobenzaldehyde is sourced from PubChem (CID 84654806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).