2-(difluoromethoxy)-3,6-dimethylbenzaldehyde

C10H10F2O2 — CID 131525568

IUPAC2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
SMILESCc1ccc(C)c(OC(F)F)c1C=O
InChIInChI=1S/C10H10F2O2/c1-6-3-4-7(2)9(8(6)5-13)14-10(11)12/h3-5,10H,1-2H3
InChIKeyMQANTAWQHSAWJB-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.72
Rot. Bonds3

About 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde

2-(difluoromethoxy)-3,6-dimethylbenzaldehyde (PubChem CID 131525568) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
PubChem CID131525568
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
SMILESCc1ccc(C)c(OC(F)F)c1C=O
InChIInChI=1S/C10H10F2O2/c1-6-3-4-7(2)9(8(6)5-13)14-10(11)12/h3-5,10H,1-2H3
InChIKeyMQANTAWQHSAWJB-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.72
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

2-(difluoromethoxy)-3-formyl-6-methylbenzoic acid
CID 171026572
2-bromo-6-(difluoromethoxy)-3-methylbenzaldehyde
CID 131351090
4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
CID 131524664
2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
CID 131378836
3,6-dichloro-2-(difluoromethoxy)benzaldehyde
CID 121228177
3-acetyl-6-chloro-2-(difluoromethoxy)benzaldehyde
CID 171006600
1-[2-amino-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171027157
1-[2-(difluoromethoxy)-6-iodo-3-methylphenyl]ethanone
CID 131616291
1-[2-(difluoromethoxy)-3-iodo-4-methylphenyl]ethanone
CID 131629632
1-[2-chloro-3-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006355
4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
CID 171027705
2-(difluoromethoxy)-4-formyl-3-methylbenzoic acid
CID 171026428

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde?
The IUPAC name of 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde (CID 131525568) is 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde?
The canonical SMILES for 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde is Cc1ccc(C)c(OC(F)F)c1C=O.
What is the InChIKey of 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde?
The InChIKey is MQANTAWQHSAWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-3-4-7(2)9(8(6)5-13)14-10(11)12/h3-5,10H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde?
2-(difluoromethoxy)-3,6-dimethylbenzaldehyde has a molecular weight of 200.18 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3,6-dimethylbenzaldehyde is sourced from PubChem (CID 131525568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).