3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde

C15H7F6NO — CID 177468956

IUPAC3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)cc2c1[nH]c1ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H7F6NO/c16-14(17,18)8-1-2-12-10(4-8)11-5-9(15(19,20)21)3-7(6-23)13(11)22-12/h1-6,22H
InChIKeyRSICQBQLACQVQZ-UHFFFAOYSA-N
MW331.22 g/mol
LogP5.17
Rot. Bonds1

About 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde

3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde (PubChem CID 177468956) has the molecular formula C15H7F6NO and a molecular weight of 331.22 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde.

Molecular Properties

Compound Name3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde
PubChem CID177468956
Molecular FormulaC15H7F6NO
Molecular Weight331.22 g/mol
Exact Mass331.04
IUPAC Name3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)cc2c1[nH]c1ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H7F6NO/c16-14(17,18)8-1-2-12-10(4-8)11-5-9(15(19,20)21)3-7(6-23)13(11)22-12/h1-6,22H
InChIKeyRSICQBQLACQVQZ-UHFFFAOYSA-N
XLogP5.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.22
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 82383642
4-(trifluoromethyl)phthalaldehyde
CID 23496648
4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one
CID 88946758
[2-formyl-4-(trifluoromethyl)phenyl]oxidanium
CID 147170716
2-iodo-5-(trifluoromethyl)benzaldehyde
CID 71650906
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 90950544
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole
CID 118627048
[2-formyl-4-(trifluoromethyl)phenyl]boronic acid
CID 53216333
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde?
The IUPAC name of 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde (CID 177468956) is 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde.
What is the SMILES notation for 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde?
The canonical SMILES for 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde is O=Cc1cc(C(F)(F)F)cc2c1[nH]c1ccc(C(F)(F)F)cc12.
What is the InChIKey of 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde?
The InChIKey is RSICQBQLACQVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6NO/c16-14(17,18)8-1-2-12-10(4-8)11-5-9(15(19,20)21)3-7(6-23)13(11)22-12/h1-6,22H.
What are the key properties of 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde?
3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde has a molecular weight of 331.22 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(trifluoromethyl)-9H-carbazole-1-carbaldehyde is sourced from PubChem (CID 177468956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).