2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde

C10H10F2O2 — CID 87217406

IUPAC2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde
SMILESCC(O)Cc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C10H10F2O2/c1-6(14)2-7-3-9(11)8(5-13)10(12)4-7/h3-6,14H,2H2,1H3
InChIKeyJCKHDTRKTCDYAS-UHFFFAOYSA-N
MW200.18 g/mol
LogP1.70
Rot. Bonds3

About 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde

2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde (PubChem CID 87217406) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde
PubChem CID87217406
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde
SMILESCC(O)Cc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C10H10F2O2/c1-6(14)2-7-3-9(11)8(5-13)10(12)4-7/h3-6,14H,2H2,1H3
InChIKeyJCKHDTRKTCDYAS-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.70
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

4-ethyl-2,6-difluorobenzaldehyde
CID 88881021
2,6-difluoro-4-(iodomethyl)benzaldehyde
CID 89403858
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
methyl 3-(3,5-difluoro-4-formylphenyl)propanoate
CID 138986712
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde?
The IUPAC name of 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde (CID 87217406) is 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde?
The canonical SMILES for 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde is CC(O)Cc1cc(F)c(C=O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde?
The InChIKey is JCKHDTRKTCDYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6(14)2-7-3-9(11)8(5-13)10(12)4-7/h3-6,14H,2H2,1H3.
What are the key properties of 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde?
2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde has a molecular weight of 200.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde is sourced from PubChem (CID 87217406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).