4-(difluoromethoxy)-2,6-dimethylbenzaldehyde

C10H10F2O2 — CID 131524664

IUPAC4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
SMILESCc1cc(OC(F)F)cc(C)c1C=O
InChIInChI=1S/C10H10F2O2/c1-6-3-8(14-10(11)12)4-7(2)9(6)5-13/h3-5,10H,1-2H3
InChIKeyQBOAOOPKTDNEGD-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.72
Rot. Bonds3

About 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde

4-(difluoromethoxy)-2,6-dimethylbenzaldehyde (PubChem CID 131524664) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
PubChem CID131524664
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
SMILESCc1cc(OC(F)F)cc(C)c1C=O
InChIInChI=1S/C10H10F2O2/c1-6-3-8(14-10(11)12)4-7(2)9(6)5-13/h3-5,10H,1-2H3
InChIKeyQBOAOOPKTDNEGD-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

5-(difluoromethoxy)-2-formyl-3-methylbenzoic acid
CID 171032097
4-(difluoromethoxy)-2,6-dimethylaniline;hydrochloride
CID 117071645
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
CID 131525568
5-(difluoromethoxy)-3-hydroxyphthalaldehyde
CID 171027840
4-acetyl-2-(difluoromethoxy)-6-methylbenzaldehyde
CID 171032070
2-[4-(difluoromethoxy)-2-methylphenyl]propanal
CID 135743389
ethyl 3-chloro-5-(difluoromethoxy)-2-formylbenzoate
CID 171004646
3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
CID 14915371
1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
CID 144663718
2-[5-(difluoromethoxy)-3-fluoro-2-formylphenyl]acetic acid
CID 171026289
2-bromo-6-(difluoromethoxy)-3-methylbenzaldehyde
CID 131351090

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde (CID 131524664) is 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde is Cc1cc(OC(F)F)cc(C)c1C=O.
What is the InChIKey of 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde?
The InChIKey is QBOAOOPKTDNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-3-8(14-10(11)12)4-7(2)9(6)5-13/h3-5,10H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde?
4-(difluoromethoxy)-2,6-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 4-(difluoromethoxy)-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 131524664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).