2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde

C9H6F4O — CID 53403700

IUPAC2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
SMILESO=CCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C9H6F4O/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,4-5H,3H2
InChIKeyRBSQCPKACITDPR-UHFFFAOYSA-N
MW206.14 g/mol
LogP2.59
Rot. Bonds2

About 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde

2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde (PubChem CID 53403700) has the molecular formula C9H6F4O and a molecular weight of 206.14 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
PubChem CID53403700
Molecular FormulaC9H6F4O
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
SMILESO=CCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C9H6F4O/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,4-5H,3H2
InChIKeyRBSQCPKACITDPR-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 52.59
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-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde
CID 53403463
2-(5-fluoro-2-sulfanylphenyl)acetaldehyde
CID 87632015
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
4-[5-fluoro-2-(trifluoromethyl)phenyl]but-3-enal
CID 170482343
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
CID 83876007
3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 132990133
2-(2-butoxy-5-fluorophenyl)acetaldehyde
CID 122648996
2-[5-fluoro-2-(propan-2-yloxymethyl)phenyl]acetaldehyde
CID 83885042
3-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 72891391
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 146279885

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde (CID 53403700) is 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde is O=CCc1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde?
The InChIKey is RBSQCPKACITDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,4-5H,3H2.
What are the key properties of 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde?
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde has a molecular weight of 206.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde is sourced from PubChem (CID 53403700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).