4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde

C14H8F5NO — CID 155712996

IUPAC4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde
SMILESO=Cc1cc(F)c(F)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F5NO/c15-11-5-8(7-21)13(6-12(11)16)20-10-3-1-9(2-4-10)14(17,18)19/h1-7,20H
InChIKeyPZTVBNFIRHKQGL-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.54
Rot. Bonds3

About 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde

4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde (PubChem CID 155712996) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde.

Molecular Properties

Compound Name4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde
PubChem CID155712996
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC Name4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde
SMILESO=Cc1cc(F)c(F)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F5NO/c15-11-5-8(7-21)13(6-12(11)16)20-10-3-1-9(2-4-10)14(17,18)19/h1-7,20H
InChIKeyPZTVBNFIRHKQGL-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine
CID 155712995
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
4-(trifluoromethyl)phthalaldehyde
CID 23496648
1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 135372419
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
CID 64992789
N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22185560
4-bromo-1-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29066934
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde?
The IUPAC name of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde (CID 155712996) is 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde.
What is the SMILES notation for 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde?
The canonical SMILES for 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde is O=Cc1cc(F)c(F)cc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde?
The InChIKey is PZTVBNFIRHKQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO/c15-11-5-8(7-21)13(6-12(11)16)20-10-3-1-9(2-4-10)14(17,18)19/h1-7,20H.
What are the key properties of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde?
4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde has a molecular weight of 301.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde is sourced from PubChem (CID 155712996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).