2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde

C10H6F6O — CID 53403463

IUPAC2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde
SMILESO=CCc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C10H6F6O/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,4-5H,3H2
InChIKeyVGZYUKBKRUURQG-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.47
Rot. Bonds2

About 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde

2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde (PubChem CID 53403463) has the molecular formula C10H6F6O and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde
PubChem CID53403463
Molecular FormulaC10H6F6O
Molecular Weight256.14 g/mol
Exact Mass256.03
IUPAC Name2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde
SMILESO=CCc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C10H6F6O/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,4-5H,3H2
InChIKeyVGZYUKBKRUURQG-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
CID 53403700
2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 2773227
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 155925897
3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-methylbenzaldehyde
CID 122475736
1,7-bis[2,5-bis(trifluoromethyl)phenyl]-2,6-dibromoheptan-4-one
CID 151909059
2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
CID 141120008
2-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]acetaldehyde
CID 117195454
2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 146279885
[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol
CID 157403943
2-[2-acetyl-5-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 126498057
2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde
CID 86049649
2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134627746

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde (CID 53403463) is 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde is O=CCc1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde?
The InChIKey is VGZYUKBKRUURQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,4-5H,3H2.
What are the key properties of 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde?
2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde has a molecular weight of 256.14 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde is sourced from PubChem (CID 53403463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).