aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone

C17H12F3NO2 — CID 59492958

IUPACaziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
SMILESO=C(c1cccc2c1-c1ccccc1C2(O)C(F)(F)F)N1CC1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)16(23)12-6-2-1-4-10(12)14-11(5-3-7-13(14)16)15(22)21-8-9-21/h1-7,23H,8-9H2
InChIKeyRFAFEZYKXLOJTL-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.92
Rot. Bonds1

About aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone

aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone (PubChem CID 59492958) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone.

Molecular Properties

Compound Nameaziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
PubChem CID59492958
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Nameaziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
SMILESO=C(c1cccc2c1-c1ccccc1C2(O)C(F)(F)F)N1CC1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)16(23)12-6-2-1-4-10(12)14-11(5-3-7-13(14)16)15(22)21-8-9-21/h1-7,23H,8-9H2
InChIKeyRFAFEZYKXLOJTL-UHFFFAOYSA-N
XLogP2.92
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
9H-fluoren-4-yl(pyrrolidin-1-yl)methanone
CID 1214982
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492546
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
CID 154351103
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone
CID 141436193
1-fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492710
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
CID 138014409

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
The IUPAC name of aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone (CID 59492958) is aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone.
What is the SMILES notation for aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
The canonical SMILES for aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone is O=C(c1cccc2c1-c1ccccc1C2(O)C(F)(F)F)N1CC1.
What is the InChIKey of aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
The InChIKey is RFAFEZYKXLOJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-17(19,20)16(23)12-6-2-1-4-10(12)14-11(5-3-7-13(14)16)15(22)21-8-9-21/h1-7,23H,8-9H2.
What are the key properties of aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone?
aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone has a molecular weight of 319.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone is sourced from PubChem (CID 59492958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).