[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate

C23H24F3NO2 — CID 118371854

IUPAC[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate
SMILESCCCC1(CCC(F)(F)F)c2ccccc2-c2ccc(/C(C)=N/OC(C)=O)cc21
InChIInChI=1S/C23H24F3NO2/c1-4-11-22(12-13-23(24,25)26)20-8-6-5-7-18(20)19-10-9-17(14-21(19)22)15(2)27-29-16(3)28/h5-10,14H,4,11-13H2,1-3H3/b27-15+
InChIKeyYMFQZXBNKZFRSL-JFLMPSFJSA-N
MW403.44 g/mol
LogP6.38
Rot. Bonds6

About [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate

[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate (PubChem CID 118371854) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate
PubChem CID118371854
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate
SMILESCCCC1(CCC(F)(F)F)c2ccccc2-c2ccc(/C(C)=N/OC(C)=O)cc21
InChIInChI=1S/C23H24F3NO2/c1-4-11-22(12-13-23(24,25)26)20-8-6-5-7-18(20)19-10-9-17(14-21(19)22)15(2)27-29-16(3)28/h5-10,14H,4,11-13H2,1-3H3/b27-15+
InChIKeyYMFQZXBNKZFRSL-JFLMPSFJSA-N
XLogP6.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate (CID 118371854) is [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate is CCCC1(CCC(F)(F)F)c2ccccc2-c2ccc(/C(C)=N/OC(C)=O)cc21.
What is the InChIKey of [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate?
The InChIKey is YMFQZXBNKZFRSL-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H24F3NO2/c1-4-11-22(12-13-23(24,25)26)20-8-6-5-7-18(20)19-10-9-17(14-21(19)22)15(2)27-29-16(3)28/h5-10,14H,4,11-13H2,1-3H3/b27-15+.
What are the key properties of [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate?
[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate has a molecular weight of 403.44 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate is sourced from PubChem (CID 118371854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).