1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione

C17H10F5NO2 — CID 91160960

IUPAC1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione
SMILESO=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C17H10F5NO2/c18-16(19,17(20,21)22)15(25)8-14(24)9-5-6-11-10-3-1-2-4-12(10)23-13(11)7-9/h1-7,23H,8H2
InChIKeySRDPHBVCVJRMHU-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.66
Rot. Bonds4

About 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione

1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione (PubChem CID 91160960) has the molecular formula C17H10F5NO2 and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione.

Molecular Properties

Compound Name1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione
PubChem CID91160960
Molecular FormulaC17H10F5NO2
Molecular Weight355.26 g/mol
Exact Mass355.06
IUPAC Name1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione
SMILESO=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C17H10F5NO2/c18-16(19,17(20,21)22)15(25)8-14(24)9-5-6-11-10-3-1-2-4-12(10)23-13(11)7-9/h1-7,23H,8H2
InChIKeySRDPHBVCVJRMHU-UHFFFAOYSA-N
XLogP4.66
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(9H-carbazol-2-yl)ethanone
CID 170860262
(Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one
CID 57493344
1-(3,4-difluorophenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione
CID 12588959
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
CID 82667262
1-(4-diphenylphosphanylphenyl)-4,4,5,5,5-pentafluoropentane-1,3-dione
CID 132521363
2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid
CID 61329919
benzoic acid;9H-carbazole
CID 162147282
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
9H-carbazole;carbonic acid
CID 67577328
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
CID 58997496
CID 58997496
2-(9H-carbazole-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070750

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
The IUPAC name of 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione (CID 91160960) is 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione.
What is the SMILES notation for 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
The canonical SMILES for 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione is O=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
The InChIKey is SRDPHBVCVJRMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5NO2/c18-16(19,17(20,21)22)15(25)8-14(24)9-5-6-11-10-3-1-2-4-12(10)23-13(11)7-9/h1-7,23H,8H2.
What are the key properties of 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione?
1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione has a molecular weight of 355.26 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione is sourced from PubChem (CID 91160960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).