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

C13H14F3NO2 — CID 107684290

IUPAC(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(OCCCC(F)(F)F)ccc21
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)6-1-7-19-10-3-4-11-9(8-10)2-5-12(11)17-18/h3-4,8,18H,1-2,5-7H2/b17-12-
InChIKeyKXLGJNAAYLAERY-ATVHPVEESA-N
MW273.25 g/mol
LogP3.53
Rot. Bonds4

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

(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 107684290) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID107684290
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(OCCCC(F)(F)F)ccc21
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)6-1-7-19-10-3-4-11-9(8-10)2-5-12(11)17-18/h3-4,8,18H,1-2,5-7H2/b17-12-
InChIKeyKXLGJNAAYLAERY-ATVHPVEESA-N
XLogP3.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-2,2-dimethylhexanenitrile
CID 107684314
(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684225
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
(NZ)-N-[5-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684224
1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
CID 107684311
(NZ)-N-[5-[(3,4-difluorophenyl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684360
1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one
CID 107684371
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
(2S)-2-methyl-7-(4,4,4-trifluorobutoxy)-1,2-dihydronaphthalene
CID 155755695
2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377936
1-[[6-(4,4,4-trifluorobutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 139434450
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58826807

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 107684290) is (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1/CCc2cc(OCCCC(F)(F)F)ccc21.
What is the InChIKey of (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is KXLGJNAAYLAERY-ATVHPVEESA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)6-1-7-19-10-3-4-11-9(8-10)2-5-12(11)17-18/h3-4,8,18H,1-2,5-7H2/b17-12-.
What are the key properties of (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 273.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 107684290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).