3-[2-chloro-6-(difluoromethoxy)phenyl]propanal

C10H9ClF2O2 — CID 134621463

IUPAC3-[2-chloro-6-(difluoromethoxy)phenyl]propanal
SMILESO=CCCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C10H9ClF2O2/c11-8-4-1-5-9(15-10(12)13)7(8)3-2-6-14/h1,4-6,10H,2-3H2
InChIKeyORSGHTLLZKICQM-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.07
Rot. Bonds5

About 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal

3-[2-chloro-6-(difluoromethoxy)phenyl]propanal (PubChem CID 134621463) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal.

Molecular Properties

Compound Name3-[2-chloro-6-(difluoromethoxy)phenyl]propanal
PubChem CID134621463
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name3-[2-chloro-6-(difluoromethoxy)phenyl]propanal
SMILESO=CCCc1c(Cl)cccc1OC(F)F
InChIInChI=1S/C10H9ClF2O2/c11-8-4-1-5-9(15-10(12)13)7(8)3-2-6-14/h1,4-6,10H,2-3H2
InChIKeyORSGHTLLZKICQM-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 118836110
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
3-[2-bromo-3-(difluoromethoxy)phenyl]propanal
CID 134621335
3-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]propanal
CID 174901017
3-[2-(difluoromethoxy)-5-methylphenyl]propanal
CID 118848434
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912
2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118819842
1-chloro-2-[2-chloro-2-[2-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518476
3-[3-chloro-2-(1-fluoroethyl)phenyl]propanal
CID 117305936
3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
CID 134621112
3-[3-(difluoromethoxy)-4-fluorophenyl]propanal
CID 75406618
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal?
The IUPAC name of 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal (CID 134621463) is 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal.
What is the SMILES notation for 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal?
The canonical SMILES for 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal is O=CCCc1c(Cl)cccc1OC(F)F.
What is the InChIKey of 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal?
The InChIKey is ORSGHTLLZKICQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c11-8-4-1-5-9(15-10(12)13)7(8)3-2-6-14/h1,4-6,10H,2-3H2.
What are the key properties of 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal?
3-[2-chloro-6-(difluoromethoxy)phenyl]propanal has a molecular weight of 234.63 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(difluoromethoxy)phenyl]propanal is sourced from PubChem (CID 134621463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).