1-fluoro-2,3-dimethyl-2-phenylaziridine

C10H12FN — CID 12547280

IUPAC1-fluoro-2,3-dimethyl-2-phenylaziridine
SMILESCC1N(F)C1(C)c1ccccc1
InChIInChI=1S/C10H12FN/c1-8-10(2,12(8)11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyXBSQPKZRKKCYDN-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.49
Rot. Bonds1

About 1-fluoro-2,3-dimethyl-2-phenylaziridine

1-fluoro-2,3-dimethyl-2-phenylaziridine (PubChem CID 12547280) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethyl-2-phenylaziridine.

Molecular Properties

Compound Name1-fluoro-2,3-dimethyl-2-phenylaziridine
PubChem CID12547280
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name1-fluoro-2,3-dimethyl-2-phenylaziridine
SMILESCC1N(F)C1(C)c1ccccc1
InChIInChI=1S/C10H12FN/c1-8-10(2,12(8)11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyXBSQPKZRKKCYDN-UHFFFAOYSA-N
XLogP2.49
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-1-fluoro-2-methyl-2,3-diphenylaziridine
CID 12547279
1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
CID 134994319
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 69117828
[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane
CID 162413159
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
1,2-dimethyl-3,3-diphenylpyrrolidine
CID 67621621
9-methyl-9,10-diphenylacridine
CID 140899029
1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile
CID 141078485
9-(3-fluoren-9-ylidene-2-methyl-2-phenylinden-1-ylidene)fluorene
CID 139125483

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethyl-2-phenylaziridine?
The IUPAC name of 1-fluoro-2,3-dimethyl-2-phenylaziridine (CID 12547280) is 1-fluoro-2,3-dimethyl-2-phenylaziridine.
What is the SMILES notation for 1-fluoro-2,3-dimethyl-2-phenylaziridine?
The canonical SMILES for 1-fluoro-2,3-dimethyl-2-phenylaziridine is CC1N(F)C1(C)c1ccccc1.
What is the InChIKey of 1-fluoro-2,3-dimethyl-2-phenylaziridine?
The InChIKey is XBSQPKZRKKCYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-8-10(2,12(8)11)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 1-fluoro-2,3-dimethyl-2-phenylaziridine?
1-fluoro-2,3-dimethyl-2-phenylaziridine has a molecular weight of 165.21 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethyl-2-phenylaziridine is sourced from PubChem (CID 12547280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).