[1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol

C12H15FN2O3 — CID 67235226

IUPAC[1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol
SMILESN[C@@H](Cc1cc([N+](=O)[O-])ccc1F)C1(CO)CC1
InChIInChI=1S/C12H15FN2O3/c13-10-2-1-9(15(17)18)5-8(10)6-11(14)12(7-16)3-4-12/h1-2,5,11,16H,3-4,6-7,14H2/t11-/m0/s1
InChIKeyYLCQZPQYTFFQHO-NSHDSACASA-N
MW254.26 g/mol
LogP1.38
Rot. Bonds5

About [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol

[1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol (PubChem CID 67235226) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol
PubChem CID67235226
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name[1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol
SMILESN[C@@H](Cc1cc([N+](=O)[O-])ccc1F)C1(CO)CC1
InChIInChI=1S/C12H15FN2O3/c13-10-2-1-9(15(17)18)5-8(10)6-11(14)12(7-16)3-4-12/h1-2,5,11,16H,3-4,6-7,14H2/t11-/m0/s1
InChIKeyYLCQZPQYTFFQHO-NSHDSACASA-N
XLogP1.38
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(2-fluoro-5-nitrophenyl)propanamide
CID 104513116
CID 90126367
CID 90126367
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
CID 66514219
tert-butyl 2-[(2-fluoro-5-nitrophenyl)methyl]-3-oxobutanoate
CID 155487649
(2-fluoro-5-nitrophenyl)methyl-methylcarbamic acid
CID 122652855
2-(2-fluoro-5-nitrophenyl)acetaldehyde
CID 87087844
1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
CID 82669041
3-amino-3-(2-fluoro-5-nitrophenyl)propan-1-ol;hydrochloride
CID 170874535
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
(3S)-3-amino-3-[(2-fluoro-5-nitrophenyl)methyl]pentanoic acid
CID 174655408
(3S)-3-amino-3-(2-fluoro-5-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241616
3-[(2-fluoro-5-nitrophenyl)methylsulfanyl]propanamide
CID 138012759

Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol (CID 67235226) is [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol is N[C@@H](Cc1cc([N+](=O)[O-])ccc1F)C1(CO)CC1.
What is the InChIKey of [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol?
The InChIKey is YLCQZPQYTFFQHO-NSHDSACASA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-10-2-1-9(15(17)18)5-8(10)6-11(14)12(7-16)3-4-12/h1-2,5,11,16H,3-4,6-7,14H2/t11-/m0/s1.
What are the key properties of [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol?
[1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol has a molecular weight of 254.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-1-amino-2-(2-fluoro-5-nitrophenyl)ethyl]cyclopropyl]methanol is sourced from PubChem (CID 67235226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).