N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine

C16H12ClF2NO — CID 3723042

IUPACN-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(F)cc1)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF2NO/c17-13-2-1-3-14(19)15(13)11-8-12(11)16(20-21)9-4-6-10(18)7-5-9/h1-7,11-12,21H,8H2
InChIKeyJCXMNOYJSMDBBD-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.60
Rot. Bonds3

About N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine

N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine (PubChem CID 3723042) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine
PubChem CID3723042
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC NameN-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(F)cc1)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF2NO/c17-13-2-1-3-14(19)15(13)11-8-12(11)16(20-21)9-4-6-10(18)7-5-9/h1-7,11-12,21H,8H2
InChIKeyJCXMNOYJSMDBBD-UHFFFAOYSA-N
XLogP4.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine (CID 3723042) is N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine is ON=C(c1ccc(F)cc1)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is JCXMNOYJSMDBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c17-13-2-1-3-14(19)15(13)11-8-12(11)16(20-21)9-4-6-10(18)7-5-9/h1-7,11-12,21H,8H2.
What are the key properties of N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine?
N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 307.73 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 3723042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).