N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide

C17H14F3NO2 — CID 59492605

IUPACN-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO2/c1-2-21-15(22)10-7-8-12-11-5-3-4-6-13(11)16(23,14(12)9-10)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22)
InChIKeyTWLQGAMSVRSJMX-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.21
Rot. Bonds2

About N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide

N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide (PubChem CID 59492605) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide
PubChem CID59492605
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC NameN-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO2/c1-2-21-15(22)10-7-8-12-11-5-3-4-6-13(11)16(23,14(12)9-10)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22)
InChIKeyTWLQGAMSVRSJMX-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide?
The IUPAC name of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide (CID 59492605) is N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide.
What is the SMILES notation for N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide?
The canonical SMILES for N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide is CCNC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide?
The InChIKey is TWLQGAMSVRSJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-2-21-15(22)10-7-8-12-11-5-3-4-6-13(11)16(23,14(12)9-10)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22).
What are the key properties of N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide?
N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide is sourced from PubChem (CID 59492605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).