(NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine

C7H6ClF2NO — CID 124519171

IUPAC(NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine
SMILESO/N=C\[C@@H]1C=C(F)C=C[C@]1(F)Cl
InChIInChI=1S/C7H6ClF2NO/c8-7(10)2-1-6(9)3-5(7)4-11-12/h1-5,12H/b11-4-/t5-,7+/m0/s1
InChIKeyQPYKYWXKNIVEKV-BUKNCPINSA-N
MW193.58 g/mol
LogP2.39
Rot. Bonds1

About (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine

(NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine (PubChem CID 124519171) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine
PubChem CID124519171
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name(NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine
SMILESO/N=C\[C@@H]1C=C(F)C=C[C@]1(F)Cl
InChIInChI=1S/C7H6ClF2NO/c8-7(10)2-1-6(9)3-5(7)4-11-12/h1-5,12H/b11-4-/t5-,7+/m0/s1
InChIKeyQPYKYWXKNIVEKV-BUKNCPINSA-N
XLogP2.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine (CID 124519171) is (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine is O/N=C\[C@@H]1C=C(F)C=C[C@]1(F)Cl.
What is the InChIKey of (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine?
The InChIKey is QPYKYWXKNIVEKV-BUKNCPINSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-7(10)2-1-6(9)3-5(7)4-11-12/h1-5,12H/b11-4-/t5-,7+/m0/s1.
What are the key properties of (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine?
(NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine has a molecular weight of 193.58 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[(1S,6S)-6-chloro-3,6-difluorocyclohexa-2,4-dien-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 124519171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).