(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine

C11H12FNO — CID 42018488

IUPAC(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-7(13-14)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11,14H,6H2,1H3/b13-7-/t10-,11+/m1/s1
InChIKeyLZZVLKBPGRAIAO-DFCPDCAHSA-N
MW193.22 g/mol
LogP2.78
Rot. Bonds2

About (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine

(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine (PubChem CID 42018488) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine
PubChem CID42018488
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-7(13-14)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11,14H,6H2,1H3/b13-7-/t10-,11+/m1/s1
InChIKeyLZZVLKBPGRAIAO-DFCPDCAHSA-N
XLogP2.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-chlorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 2765708
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine
CID 7097778
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
[(Z)-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 42549790
[(E)-1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 6161366
N-(diaminomethylidene)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 54517711
(Z)-N-methoxy-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6346543
ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone
CID 145400535
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 7334337
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine (CID 42018488) is (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine is C/C(=N/O)[C@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine?
The InChIKey is LZZVLKBPGRAIAO-DFCPDCAHSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7(13-14)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11,14H,6H2,1H3/b13-7-/t10-,11+/m1/s1.
What are the key properties of (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine has a molecular weight of 193.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine is sourced from PubChem (CID 42018488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).