(4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone

C16H14FNO — CID 166441417

IUPAC(4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone
SMILESCN1C(C(=O)c2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C16H14FNO/c1-18-14(11-5-3-2-4-6-11)15(18)16(19)12-7-9-13(17)10-8-12/h2-10,14-15H,1H3
InChIKeyOCHMKEFWVMTTEP-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.06
Rot. Bonds3

About (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone

(4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone (PubChem CID 166441417) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone
PubChem CID166441417
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone
SMILESCN1C(C(=O)c2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C16H14FNO/c1-18-14(11-5-3-2-4-6-11)15(18)16(19)12-7-9-13(17)10-8-12/h2-10,14-15H,1H3
InChIKeyOCHMKEFWVMTTEP-UHFFFAOYSA-N
XLogP3.06
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
(4-methoxyphenyl)-[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]methanone
CID 6562474
[(2R,3R)-3-(4-bromophenyl)-1-methylaziridin-2-yl]-phenylmethanone
CID 6562139
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 4056654
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
(4-fluorophenyl)-phenylmethanone
CID 161464622
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone
CID 25112566
(4-fluorophenyl)-[(2R,3S)-3-methyl-3-phenyloxiran-2-yl]methanone
CID 135068718
4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione
CID 4743268

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone (CID 166441417) is (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone is CN1C(C(=O)c2ccc(F)cc2)C1c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone?
The InChIKey is OCHMKEFWVMTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-18-14(11-5-3-2-4-6-11)15(18)16(19)12-7-9-13(17)10-8-12/h2-10,14-15H,1H3.
What are the key properties of (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone?
(4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone is sourced from PubChem (CID 166441417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).