4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde

C9H7ClF2O2 — CID 171004500

IUPAC4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
SMILESCc1cc(Cl)c(OC(F)F)cc1C=O
InChIInChI=1S/C9H7ClF2O2/c1-5-2-7(10)8(14-9(11)12)3-6(5)4-13/h2-4,9H,1H3
InChIKeyGTONORAQUOPXNN-UHFFFAOYSA-N
MW220.60 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde

4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde (PubChem CID 171004500) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
PubChem CID171004500
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
SMILESCc1cc(Cl)c(OC(F)F)cc1C=O
InChIInChI=1S/C9H7ClF2O2/c1-5-2-7(10)8(14-9(11)12)3-6(5)4-13/h2-4,9H,1H3
InChIKeyGTONORAQUOPXNN-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 53.06
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

4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
4-acetyl-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171032064
2-(difluoromethoxy)-5-formyl-4-methylbenzonitrile
CID 131300396
ethyl 4-chloro-5-(difluoromethoxy)-2-formylbenzoate
CID 171005080
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
(E)-3-[2-(difluoromethoxy)-5-formyl-4-methylphenyl]prop-2-enoic acid
CID 171026502
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde?
The IUPAC name of 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde (CID 171004500) is 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde.
What is the SMILES notation for 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde?
The canonical SMILES for 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde is Cc1cc(Cl)c(OC(F)F)cc1C=O.
What is the InChIKey of 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde?
The InChIKey is GTONORAQUOPXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c1-5-2-7(10)8(14-9(11)12)3-6(5)4-13/h2-4,9H,1H3.
What are the key properties of 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde?
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde has a molecular weight of 220.60 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde is sourced from PubChem (CID 171004500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).