(Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one

C17H10F5NO2 — CID 57493344

IUPAC(Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one
SMILESO=C(/C=C(\O)c1ccc2c(c1)[nH]c1ccccc12)C(F)(F)C(F)(F)F
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/h1-8,23-24H/b14-8-
InChIKeyIOGHQVREYHWZLE-ZSOIEALJSA-N
MW355.26 g/mol
LogP4.99
Rot. Bonds3

About (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one

(Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one (PubChem CID 57493344) has the molecular formula C17H10F5NO2 and a molecular weight of 355.26 g/mol. Its IUPAC name is (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one
PubChem CID57493344
Molecular FormulaC17H10F5NO2
Molecular Weight355.26 g/mol
Exact Mass355.06
IUPAC Name(Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one
SMILESO=C(/C=C(\O)c1ccc2c(c1)[nH]c1ccccc12)C(F)(F)C(F)(F)F
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/h1-8,23-24H/b14-8-
InChIKeyIOGHQVREYHWZLE-ZSOIEALJSA-N
XLogP4.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
The IUPAC name of (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one (CID 57493344) is (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one.
What is the SMILES notation for (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
The canonical SMILES for (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one is O=C(/C=C(\O)c1ccc2c(c1)[nH]c1ccccc12)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
The InChIKey is IOGHQVREYHWZLE-ZSOIEALJSA-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/h1-8,23-24H/b14-8-.
What are the key properties of (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
(Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one has a molecular weight of 355.26 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one is sourced from PubChem (CID 57493344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).