2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol

C10H12FNO — CID 82125307

IUPAC2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CC1)c1ccccc1F
InChIInChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10(13)7-12-5-6-12/h1-4,10,13H,5-7H2
InChIKeyCMLCWSCJYOMJRI-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.17
Rot. Bonds3

About 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol

2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 82125307) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
PubChem CID82125307
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
SMILESOC(CN1CC1)c1ccccc1F
InChIInChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10(13)7-12-5-6-12/h1-4,10,13H,5-7H2
InChIKeyCMLCWSCJYOMJRI-UHFFFAOYSA-N
XLogP1.17
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.17
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

(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110889743
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 34187761
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 111421571
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110887602

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol (CID 82125307) is 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol is OC(CN1CC1)c1ccccc1F.
What is the InChIKey of 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is CMLCWSCJYOMJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10(13)7-12-5-6-12/h1-4,10,13H,5-7H2.
What are the key properties of 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol?
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol has a molecular weight of 181.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 82125307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).