4-[7-(trifluoromethyl)undecylamino]benzaldehyde

C19H28F3NO — CID 20549309

IUPAC4-[7-(trifluoromethyl)undecylamino]benzaldehyde
SMILESCCCCC(CCCCCCNc1ccc(C=O)cc1)C(F)(F)F
InChIInChI=1S/C19H28F3NO/c1-2-3-8-17(19(20,21)22)9-6-4-5-7-14-23-18-12-10-16(15-24)11-13-18/h10-13,15,17,23H,2-9,14H2,1H3
InChIKeyAWHCRHJGQLYRBR-UHFFFAOYSA-N
MW343.43 g/mol
LogP6.23
Rot. Bonds12

About 4-[7-(trifluoromethyl)undecylamino]benzaldehyde

4-[7-(trifluoromethyl)undecylamino]benzaldehyde (PubChem CID 20549309) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[7-(trifluoromethyl)undecylamino]benzaldehyde.

Molecular Properties

Compound Name4-[7-(trifluoromethyl)undecylamino]benzaldehyde
PubChem CID20549309
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name4-[7-(trifluoromethyl)undecylamino]benzaldehyde
SMILESCCCCC(CCCCCCNc1ccc(C=O)cc1)C(F)(F)F
InChIInChI=1S/C19H28F3NO/c1-2-3-8-17(19(20,21)22)9-6-4-5-7-14-23-18-12-10-16(15-24)11-13-18/h10-13,15,17,23H,2-9,14H2,1H3
InChIKeyAWHCRHJGQLYRBR-UHFFFAOYSA-N
XLogP6.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(nonadecylamino)benzaldehyde
CID 20556317
(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal
CID 88747551
ethyl 6-(4-formylanilino)hexanoate
CID 22448233
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
4-(12-methyltridecylamino)benzoic acid
CID 21057297
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
N-heptyl-4-(trifluoromethoxy)aniline
CID 43129251
4-dodecan-3-ylbenzaldehyde
CID 57123935
4-[(Z)-2-(4-nitrophenyl)ethenyl]-N-octadecylaniline
CID 51056058

Frequently Asked Questions

What is the IUPAC name of 4-[7-(trifluoromethyl)undecylamino]benzaldehyde?
The IUPAC name of 4-[7-(trifluoromethyl)undecylamino]benzaldehyde (CID 20549309) is 4-[7-(trifluoromethyl)undecylamino]benzaldehyde.
What is the SMILES notation for 4-[7-(trifluoromethyl)undecylamino]benzaldehyde?
The canonical SMILES for 4-[7-(trifluoromethyl)undecylamino]benzaldehyde is CCCCC(CCCCCCNc1ccc(C=O)cc1)C(F)(F)F.
What is the InChIKey of 4-[7-(trifluoromethyl)undecylamino]benzaldehyde?
The InChIKey is AWHCRHJGQLYRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-2-3-8-17(19(20,21)22)9-6-4-5-7-14-23-18-12-10-16(15-24)11-13-18/h10-13,15,17,23H,2-9,14H2,1H3.
What are the key properties of 4-[7-(trifluoromethyl)undecylamino]benzaldehyde?
4-[7-(trifluoromethyl)undecylamino]benzaldehyde has a molecular weight of 343.43 g/mol, XLogP of 6.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(trifluoromethyl)undecylamino]benzaldehyde is sourced from PubChem (CID 20549309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).