2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde

C8H4F4O2 — CID 146035323

IUPAC2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(O)c1F
InChIInChI=1S/C8H4F4O2/c9-6-4(3-13)1-2-5(7(6)14)8(10,11)12/h1-3,14H
InChIKeyHFGHPAWOYREXAE-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.36
Rot. Bonds1

About 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde

2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde (PubChem CID 146035323) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
PubChem CID146035323
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(O)c1F
InChIInChI=1S/C8H4F4O2/c9-6-4(3-13)1-2-5(7(6)14)8(10,11)12/h1-3,14H
InChIKeyHFGHPAWOYREXAE-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.36
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

2,4-difluoro-3-hydroxybenzaldehyde
CID 593909
2-acetyl-3-fluoro-4-(trifluoromethyl)benzaldehyde
CID 171015628
2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
CID 84685306
4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 166657109
2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol
CID 164893361
4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 18537700
[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde
CID 175602654
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
2-bromo-3,4-bis(trifluoromethyl)benzaldehyde
CID 134638660
2-fluoro-3-hydroxybenzaldehyde
CID 587789
5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxine-8-carbaldehyde
CID 84695335
2-fluoro-3-(trifluoromethoxy)terephthalaldehyde
CID 171010447

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde (CID 146035323) is 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde is O=Cc1ccc(C(F)(F)F)c(O)c1F.
What is the InChIKey of 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde?
The InChIKey is HFGHPAWOYREXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c9-6-4(3-13)1-2-5(7(6)14)8(10,11)12/h1-3,14H.
What are the key properties of 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde?
2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde has a molecular weight of 208.11 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 146035323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).