4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde

C14H8F4O2 — CID 21057416

IUPAC4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde
SMILESO=Cc1ccc(C(F)(F)Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H8F4O2/c15-12-6-5-11(7-13(12)16)20-14(17,18)10-3-1-9(8-19)2-4-10/h1-8H
InChIKeyKAVKHRQKKOPJTJ-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.91
Rot. Bonds4

About 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde

4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde (PubChem CID 21057416) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde.

Molecular Properties

Compound Name4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde
PubChem CID21057416
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde
SMILESO=Cc1ccc(C(F)(F)Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H8F4O2/c15-12-6-5-11(7-13(12)16)20-14(17,18)10-3-1-9(8-19)2-4-10/h1-8H
InChIKeyKAVKHRQKKOPJTJ-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.91
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

3-Phenoxybenzaldehyde
CID 38284
Phenyl benzoate
CID 7169
Benzaldehyde, 2-ethoxy-
CID 11950
4-Phenoxybenzaldehyde
CID 66139
Ethanone, 1-(3-phenoxyphenyl)-
CID 36249
2-(Benzyloxy)benzaldehyde
CID 344784
2,2'-(Ethylenedioxy)dibenzaldehyde
CID 224214
1-[4-(Benzyloxy)phenyl]ethan-1-one
CID 245226
1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone
CID 2737276
Benzaldehyde, 4-(phenylmethoxy)-
CID 78109
4-Fluoro-3-phenoxybenzaldehyde
CID 110068
o-Phenoxybenzaldehyde
CID 88060

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde?
The IUPAC name of 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde (CID 21057416) is 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde.
What is the SMILES notation for 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde?
The canonical SMILES for 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde is O=Cc1ccc(C(F)(F)Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde?
The InChIKey is KAVKHRQKKOPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-12-6-5-11(7-13(12)16)20-14(17,18)10-3-1-9(8-19)2-4-10/h1-8H.
What are the key properties of 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde?
4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde has a molecular weight of 284.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenoxy)-difluoromethyl]benzaldehyde is sourced from PubChem (CID 21057416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).