(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine

C16H14F3N — CID 53309010

IUPAC(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine
SMILESFC(F)(F)[C@]1(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15(14-9-5-2-6-10-14)12-20(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2/t15-,20?/m1/s1
InChIKeyOTPVCOOZIPHLLF-IWPPFLRJSA-N
MW277.29 g/mol
LogP3.96
Rot. Bonds3

About (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine

(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine (PubChem CID 53309010) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine
PubChem CID53309010
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine
SMILESFC(F)(F)[C@]1(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15(14-9-5-2-6-10-14)12-20(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2/t15-,20?/m1/s1
InChIKeyOTPVCOOZIPHLLF-IWPPFLRJSA-N
XLogP3.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 124869781
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
CID 121014362
9-benzyl-9-azadispiro[2.2.26.23]decane
CID 163932559
1-benzyl-2-methyl-2-phenylpiperazine
CID 64844450
1-benzyl-2,2-difluoropyrrolidin-3-ol
CID 118095392
15-benzyl-1,8-diphenyl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene
CID 102339470
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 101229912
2-benzyl-2-azatricyclo[2.2.1.11,4]octane
CID 105452333
4-[[1-benzyl-2-(trifluoromethyl)pyrrolidin-2-yl]methyl]morpholine
CID 122202999

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine?
The IUPAC name of (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine (CID 53309010) is (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine.
What is the SMILES notation for (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine?
The canonical SMILES for (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine is FC(F)(F)[C@]1(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine?
The InChIKey is OTPVCOOZIPHLLF-IWPPFLRJSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)15(14-9-5-2-6-10-14)12-20(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2/t15-,20?/m1/s1.
What are the key properties of (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine?
(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine has a molecular weight of 277.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine is sourced from PubChem (CID 53309010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).