2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde

C14H10F2O2 — CID 153445299

IUPAC2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
SMILESO=CC(F)(F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H10F2O2/c15-14(16,10-17)11-5-4-8-13(9-11)18-12-6-2-1-3-7-12/h1-10H
InChIKeyDEWBIMUBHXYWTH-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.77
Rot. Bonds4

About 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde

2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde (PubChem CID 153445299) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
PubChem CID153445299
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
SMILESO=CC(F)(F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H10F2O2/c15-14(16,10-17)11-5-4-8-13(9-11)18-12-6-2-1-3-7-12/h1-10H
InChIKeyDEWBIMUBHXYWTH-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.77
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

2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
CID 105467397
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
CID 149187727
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
CID 87850668
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
2-methylsulfanyl-2-(3-phenoxyphenyl)propanoic acid
CID 12917672
3-[3-[2-[3-(3-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-[3-[2-[3-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
CID 157307509

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde (CID 153445299) is 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde is O=CC(F)(F)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde?
The InChIKey is DEWBIMUBHXYWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-14(16,10-17)11-5-4-8-13(9-11)18-12-6-2-1-3-7-12/h1-10H.
What are the key properties of 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde?
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde is sourced from PubChem (CID 153445299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).