2-(difluoromethyl)-6-hydroxybenzaldehyde

C8H6F2O2 — CID 84654276

IUPAC2-(difluoromethyl)-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1C(F)F
InChIInChI=1S/C8H6F2O2/c9-8(10)5-2-1-3-7(12)6(5)4-11/h1-4,8,12H
InChIKeyJIPREOQKRAQJSU-UHFFFAOYSA-N
MW172.13 g/mol
LogP2.14
Rot. Bonds2

About 2-(difluoromethyl)-6-hydroxybenzaldehyde

2-(difluoromethyl)-6-hydroxybenzaldehyde (PubChem CID 84654276) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-6-hydroxybenzaldehyde
PubChem CID84654276
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name2-(difluoromethyl)-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1C(F)F
InChIInChI=1S/C8H6F2O2/c9-8(10)5-2-1-3-7(12)6(5)4-11/h1-4,8,12H
InChIKeyJIPREOQKRAQJSU-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-6-fluorobenzaldehyde
CID 84654806
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817732
2-(2-bromopropanoyl)-6-(difluoromethyl)benzaldehyde
CID 170838184
2-(3-chloro-1,2-dihydroxypropyl)-6-hydroxybenzaldehyde
CID 171861908
2-(difluoromethyl)phenol
CID 21386914
2-(4-bromo-1,2-dihydroxybutyl)-6-hydroxybenzaldehyde
CID 171891883
3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal
CID 134621601
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509
2-fluoro-3,6-dihydroxybenzaldehyde
CID 84763685

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-hydroxybenzaldehyde?
The IUPAC name of 2-(difluoromethyl)-6-hydroxybenzaldehyde (CID 84654276) is 2-(difluoromethyl)-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-6-hydroxybenzaldehyde?
The canonical SMILES for 2-(difluoromethyl)-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-hydroxybenzaldehyde?
The InChIKey is JIPREOQKRAQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-8(10)5-2-1-3-7(12)6(5)4-11/h1-4,8,12H.
What are the key properties of 2-(difluoromethyl)-6-hydroxybenzaldehyde?
2-(difluoromethyl)-6-hydroxybenzaldehyde has a molecular weight of 172.13 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-hydroxybenzaldehyde is sourced from PubChem (CID 84654276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).