4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde

C19H9F4NO — CID 163211727

IUPAC4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)cc3c([nH]c4c(F)cc(F)cc43)c2F)cc1
InChIInChI=1S/C19H9F4NO/c20-11-5-12-13-7-14(21)16(10-3-1-9(8-25)2-4-10)17(23)19(13)24-18(12)15(22)6-11/h1-8,24H
InChIKeyTUZNTNPWBGSXMK-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.36
Rot. Bonds2

About 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde

4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde (PubChem CID 163211727) has the molecular formula C19H9F4NO and a molecular weight of 343.28 g/mol. Its IUPAC name is 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde
PubChem CID163211727
Molecular FormulaC19H9F4NO
Molecular Weight343.28 g/mol
Exact Mass343.06
IUPAC Name4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)cc3c([nH]c4c(F)cc(F)cc43)c2F)cc1
InChIInChI=1S/C19H9F4NO/c20-11-5-12-13-7-14(21)16(10-3-1-9(8-25)2-4-10)17(23)19(13)24-18(12)15(22)6-11/h1-8,24H
InChIKeyTUZNTNPWBGSXMK-UHFFFAOYSA-N
XLogP5.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde?
The IUPAC name of 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde (CID 163211727) is 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde.
What is the SMILES notation for 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde?
The canonical SMILES for 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde is O=Cc1ccc(-c2c(F)cc3c([nH]c4c(F)cc(F)cc43)c2F)cc1.
What is the InChIKey of 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde?
The InChIKey is TUZNTNPWBGSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F4NO/c20-11-5-12-13-7-14(21)16(10-3-1-9(8-25)2-4-10)17(23)19(13)24-18(12)15(22)6-11/h1-8,24H.
What are the key properties of 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde?
4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde has a molecular weight of 343.28 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,6,8-tetrafluoro-9H-carbazol-2-yl)benzaldehyde is sourced from PubChem (CID 163211727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).