3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde

C10H9ClF2O3 — CID 60922279

IUPAC3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCC(F)F
InChIInChI=1S/C10H9ClF2O3/c1-15-8-3-6(4-14)2-7(11)10(8)16-5-9(12)13/h2-4,9H,5H2,1H3
InChIKeyGOQROXXPRDLDQV-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.81
Rot. Bonds5

About 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde

3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde (PubChem CID 60922279) has the molecular formula C10H9ClF2O3 and a molecular weight of 250.63 g/mol. Its IUPAC name is 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
PubChem CID60922279
Molecular FormulaC10H9ClF2O3
Molecular Weight250.63 g/mol
Exact Mass250.02
IUPAC Name3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OCC(F)F
InChIInChI=1S/C10H9ClF2O3/c1-15-8-3-6(4-14)2-7(11)10(8)16-5-9(12)13/h2-4,9H,5H2,1H3
InChIKeyGOQROXXPRDLDQV-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.81
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

3-chloro-4-(2-hydroxy-3-methoxypropoxy)-5-methoxybenzaldehyde
CID 63930082
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxybenzaldehyde
CID 106438560
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171
3-(2-chloro-4-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623698
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 82037921

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
The IUPAC name of 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde (CID 60922279) is 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde is COc1cc(C=O)cc(Cl)c1OCC(F)F.
What is the InChIKey of 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
The InChIKey is GOQROXXPRDLDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3/c1-15-8-3-6(4-14)2-7(11)10(8)16-5-9(12)13/h2-4,9H,5H2,1H3.
What are the key properties of 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde?
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde has a molecular weight of 250.63 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 60922279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).