2-fluoro-2-(3-hydroxyphenyl)propanal

C9H9FO2 — CID 105433688

IUPAC2-fluoro-2-(3-hydroxyphenyl)propanal
SMILESCC(F)(C=O)c1cccc(O)c1
InChIInChI=1S/C9H9FO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-6,12H,1H3
InChIKeyNRTUOLYHDMPJMM-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.78
Rot. Bonds2

About 2-fluoro-2-(3-hydroxyphenyl)propanal

2-fluoro-2-(3-hydroxyphenyl)propanal (PubChem CID 105433688) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-fluoro-2-(3-hydroxyphenyl)propanal.

Molecular Properties

Compound Name2-fluoro-2-(3-hydroxyphenyl)propanal
PubChem CID105433688
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-fluoro-2-(3-hydroxyphenyl)propanal
SMILESCC(F)(C=O)c1cccc(O)c1
InChIInChI=1S/C9H9FO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-6,12H,1H3
InChIKeyNRTUOLYHDMPJMM-UHFFFAOYSA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.78
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

3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
bis(2,7-ditert-butyl-9H-fluoren-9-ide);bis(3-(trifluoromethyl)phenol);zirconium(2+)
CID 22714801
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000
2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
CID 105459733
3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
CID 105473540
2-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 63689636
3-(2-hydroperoxypropan-2-yl)phenol
CID 14576497
(E)-4-(3-hydroxyphenyl)-4-methylpent-2-enoic acid
CID 23439961
3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
CID 115036820
3-aminophenol;3-tert-butylphenol;formaldehyde
CID 67925508

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-hydroxyphenyl)propanal?
The IUPAC name of 2-fluoro-2-(3-hydroxyphenyl)propanal (CID 105433688) is 2-fluoro-2-(3-hydroxyphenyl)propanal.
What is the SMILES notation for 2-fluoro-2-(3-hydroxyphenyl)propanal?
The canonical SMILES for 2-fluoro-2-(3-hydroxyphenyl)propanal is CC(F)(C=O)c1cccc(O)c1.
What is the InChIKey of 2-fluoro-2-(3-hydroxyphenyl)propanal?
The InChIKey is NRTUOLYHDMPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-6,12H,1H3.
What are the key properties of 2-fluoro-2-(3-hydroxyphenyl)propanal?
2-fluoro-2-(3-hydroxyphenyl)propanal has a molecular weight of 168.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-hydroxyphenyl)propanal is sourced from PubChem (CID 105433688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).