(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

C16H13F2NO2 — CID 107684360

IUPAC(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(OCc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C16H13F2NO2/c17-14-5-1-10(7-15(14)18)9-21-12-3-4-13-11(8-12)2-6-16(13)19-20/h1,3-5,7-8,20H,2,6,9H2/b19-16-
InChIKeyAEPXPCUXKBZBRV-MNDPQUGUSA-N
MW289.28 g/mol
LogP3.67
Rot. Bonds3

About (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 107684360) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID107684360
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(OCc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C16H13F2NO2/c17-14-5-1-10(7-15(14)18)9-21-12-3-4-13-11(8-12)2-6-16(13)19-20/h1,3-5,7-8,20H,2,6,9H2/b19-16-
InChIKeyAEPXPCUXKBZBRV-MNDPQUGUSA-N
XLogP3.67
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.67
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

(NE)-N-[6-[(4-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10590433
6-[(3,4-difluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 69038466
(NZ)-N-[5-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684224
(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684290
1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
CID 107684311
2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]benzonitrile
CID 107684287
N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane
CID 174673437
(3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene
CID 138464822
6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 107881278
(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684225
(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 82916047
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 107684360) is (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1/CCc2cc(OCc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is AEPXPCUXKBZBRV-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-14-5-1-10(7-15(14)18)9-21-12-3-4-13-11(8-12)2-6-16(13)19-20/h1,3-5,7-8,20H,2,6,9H2/b19-16-.
What are the key properties of (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 289.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 107684360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).