9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C19H17BrF3NO — CID 10597759

IUPAC9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NCC(F)(F)F)C1(CCCBr)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17BrF3NO/c20-11-5-10-18(17(25)24-12-19(21,22)23)15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9H,5,10-12H2,(H,24,25)
InChIKeyZCFGNAPSQKMIQN-UHFFFAOYSA-N
MW412.25 g/mol
LogP4.81
Rot. Bonds5

About 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 10597759) has the molecular formula C19H17BrF3NO and a molecular weight of 412.25 g/mol. Its IUPAC name is 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID10597759
Molecular FormulaC19H17BrF3NO
Molecular Weight412.25 g/mol
Exact Mass411.04
IUPAC Name9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NCC(F)(F)F)C1(CCCBr)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17BrF3NO/c20-11-5-10-18(17(25)24-12-19(21,22)23)15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9H,5,10-12H2,(H,24,25)
InChIKeyZCFGNAPSQKMIQN-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 10597759) is 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is O=C(NCC(F)(F)F)C1(CCCBr)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is ZCFGNAPSQKMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3NO/c20-11-5-10-18(17(25)24-12-19(21,22)23)15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9H,5,10-12H2,(H,24,25).
What are the key properties of 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 412.25 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromopropyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 10597759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).