2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde

C10H8F4O2 — CID 21071395

IUPAC2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
SMILESO=Cc1ccccc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H8F4O2/c11-9(12)10(13,14)6-16-8-4-2-1-3-7(8)5-15/h1-5,9H,6H2
InChIKeyHHXXZBWLDIJLHX-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.78
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde

2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde (PubChem CID 21071395) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
PubChem CID21071395
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
SMILESO=Cc1ccccc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H8F4O2/c11-9(12)10(13,14)6-16-8-4-2-1-3-7(8)5-15/h1-5,9H,6H2
InChIKeyHHXXZBWLDIJLHX-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 2-(2-formylphenoxy)acetate
CID 87891614
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-(3-fluoro-2,2,3-tripropylhexoxy)benzaldehyde
CID 141070933
2-bromo-1-chloro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513372
3-chloro-4-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 78996104
2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde
CID 154667088
2-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 29004799
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
ethyl 2-(2,2,3,3-tetrafluoropropoxy)benzoate
CID 19622898
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde (CID 21071395) is 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde is O=Cc1ccccc1OCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
The InChIKey is HHXXZBWLDIJLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c11-9(12)10(13,14)6-16-8-4-2-1-3-7(8)5-15/h1-5,9H,6H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde?
2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde has a molecular weight of 236.16 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde is sourced from PubChem (CID 21071395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).