(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

C16H15F2NO2 — CID 114930385

IUPAC(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2c(F)cccc2F)cc1)=N/O
InChIInChI=1S/C16H15F2NO2/c1-11(19-20)9-12-5-7-13(8-6-12)21-10-14-15(17)3-2-4-16(14)18/h2-8,20H,9-10H2,1H3/b19-11-
InChIKeyIFFYRNORDQPFLZ-ODLFYWEKSA-N
MW291.30 g/mol
LogP3.94
Rot. Bonds5

About (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 114930385) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
PubChem CID114930385
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2c(F)cccc2F)cc1)=N/O
InChIInChI=1S/C16H15F2NO2/c1-11(19-20)9-12-5-7-13(8-6-12)21-10-14-15(17)3-2-4-16(14)18/h2-8,20H,9-10H2,1H3/b19-11-
InChIKeyIFFYRNORDQPFLZ-ODLFYWEKSA-N
XLogP3.94
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495642
(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495621
4-(2-hydroxyiminopropyl)phenol
CID 572036
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495682
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495508
(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495504
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
(NZ)-N-[1-[2-[(2,6-difluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114930383

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (CID 114930385) is (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(OCc2c(F)cccc2F)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is IFFYRNORDQPFLZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-11(19-20)9-12-5-7-13(8-6-12)21-10-14-15(17)3-2-4-16(14)18/h2-8,20H,9-10H2,1H3/b19-11-.
What are the key properties of (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 291.30 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 114930385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).