2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde

C10H8F4O — CID 122575553

IUPAC2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde
SMILESO=CCc1ccc(CC(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O/c11-9-5-7(6-10(12,13)14)1-2-8(9)3-4-15/h1-2,4-5H,3,6H2
InChIKeyBEYKLURHHGGDSJ-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.67
Rot. Bonds3

About 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde

2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde (PubChem CID 122575553) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde
PubChem CID122575553
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde
SMILESO=CCc1ccc(CC(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O/c11-9-5-7(6-10(12,13)14)1-2-8(9)3-4-15/h1-2,4-5H,3,6H2
InChIKeyBEYKLURHHGGDSJ-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
CID 91883083
[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
CID 178139316
2-(3,4,5-trifluorophenyl)acetaldehyde
CID 53403555
2,5-bis(2,2,2-trifluoroethyl)benzoic acid
CID 87232207
1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene
CID 134271412
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
CID 53403700
5-(2,2,2-trifluoroethyl)-1,3-benzodioxole
CID 116932124
4-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 67818172
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
2-(5-bromo-2,4-difluorophenyl)acetaldehyde
CID 87241512

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde (CID 122575553) is 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde is O=CCc1ccc(CC(F)(F)F)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde?
The InChIKey is BEYKLURHHGGDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-9-5-7(6-10(12,13)14)1-2-8(9)3-4-15/h1-2,4-5H,3,6H2.
What are the key properties of 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde?
2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde has a molecular weight of 220.16 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde is sourced from PubChem (CID 122575553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).