2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde

C10H10F2O3 — CID 60922402

IUPAC2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCC(F)F)c(C=O)c1
InChIInChI=1S/C10H10F2O3/c1-14-8-2-3-9(7(4-8)5-13)15-6-10(11)12/h2-5,10H,6H2,1H3
InChIKeyZZZNBHLNMLHNGM-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.15
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde

2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde (PubChem CID 60922402) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
PubChem CID60922402
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCC(F)F)c(C=O)c1
InChIInChI=1S/C10H10F2O3/c1-14-8-2-3-9(7(4-8)5-13)15-6-10(11)12/h2-5,10H,6H2,1H3
InChIKeyZZZNBHLNMLHNGM-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
CID 59603127
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
1-(2-formyl-4-methoxyphenoxy)propan-2-yl benzenesulfonate
CID 141202863
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711
2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
CID 43267878
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde (CID 60922402) is 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde is COc1ccc(OCC(F)F)c(C=O)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
The InChIKey is ZZZNBHLNMLHNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-14-8-2-3-9(7(4-8)5-13)15-6-10(11)12/h2-5,10H,6H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde has a molecular weight of 216.18 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 60922402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).