2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine

C11H12FNO — CID 145256711

IUPAC2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
SMILESFc1ccc2c(c1)CCC(C1CN1)O2
InChIInChI=1S/C11H12FNO/c12-8-2-4-10-7(5-8)1-3-11(14-10)9-6-13-9/h2,4-5,9,11,13H,1,3,6H2
InChIKeyNRMLKMYMQNWZAH-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.49
Rot. Bonds1

About 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine

2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine (PubChem CID 145256711) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
PubChem CID145256711
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
SMILESFc1ccc2c(c1)CCC(C1CN1)O2
InChIInChI=1S/C11H12FNO/c12-8-2-4-10-7(5-8)1-3-11(14-10)9-6-13-9/h2,4-5,9,11,13H,1,3,6H2
InChIKeyNRMLKMYMQNWZAH-UHFFFAOYSA-N
XLogP1.49
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.49
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

2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
CID 69246193
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 129390775
2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine
CID 117046569
2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol
CID 117046599
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
CID 71249247
3-(6-fluoro-4H-1,3-benzodioxin-2-yl)pyrrolidine
CID 115062666
2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol
CID 174629306
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620876
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
CID 11626384

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine (CID 145256711) is 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine is Fc1ccc2c(c1)CCC(C1CN1)O2.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine?
The InChIKey is NRMLKMYMQNWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-8-2-4-10-7(5-8)1-3-11(14-10)9-6-13-9/h2,4-5,9,11,13H,1,3,6H2.
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine?
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine has a molecular weight of 193.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine is sourced from PubChem (CID 145256711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).