4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde

C20H11F3O — CID 151791255

IUPAC4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)c(F)c(F)c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H11F3O/c21-18-16(12-7-5-11(10-24)6-8-12)15-9-13-3-1-2-4-14(13)17(15)19(22)20(18)23/h1-8,10H,9H2
InChIKeyRWQXHAHRXYRIOY-UHFFFAOYSA-N
MW324.30 g/mol
LogP5.15
Rot. Bonds2

About 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde

4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde (PubChem CID 151791255) has the molecular formula C20H11F3O and a molecular weight of 324.30 g/mol. Its IUPAC name is 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde
PubChem CID151791255
Molecular FormulaC20H11F3O
Molecular Weight324.30 g/mol
Exact Mass324.08
IUPAC Name4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)c(F)c(F)c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H11F3O/c21-18-16(12-7-5-11(10-24)6-8-12)15-9-13-3-1-2-4-14(13)17(15)19(22)20(18)23/h1-8,10H,9H2
InChIKeyRWQXHAHRXYRIOY-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
O-(2,3,4-trifluoro-9H-fluoren-1-yl)hydroxylamine
CID 150641353
3-(9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl)propyl 4-formylbenzoate
CID 102468313
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
CID 158607547
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
3-fluoro-2-(4-formylphenyl)-4-methylbenzonitrile
CID 121004994
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-3-carbaldehyde
CID 177323935
1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene
CID 175138481
9H-fluorene-2-carbaldehyde;N-methylhydroxylamine
CID 156719252
1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 59855591

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde?
The IUPAC name of 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde (CID 151791255) is 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde.
What is the SMILES notation for 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde?
The canonical SMILES for 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde is O=Cc1ccc(-c2c(F)c(F)c(F)c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde?
The InChIKey is RWQXHAHRXYRIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3O/c21-18-16(12-7-5-11(10-24)6-8-12)15-9-13-3-1-2-4-14(13)17(15)19(22)20(18)23/h1-8,10H,9H2.
What are the key properties of 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde?
4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde has a molecular weight of 324.30 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trifluoro-9H-fluoren-1-yl)benzaldehyde is sourced from PubChem (CID 151791255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).