(NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine

C9H8Cl2FNO — CID 88811648

IUPAC(NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine
SMILESO/N=C(/CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2FNO/c10-7-2-1-6(9(11)4-7)3-8(5-12)13-14/h1-2,4,14H,3,5H2/b13-8+
InChIKeyUILSJASICPZKBR-MDWZMJQESA-N
MW236.07 g/mol
LogP3.34
Rot. Bonds3

About (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine

(NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine (PubChem CID 88811648) has the molecular formula C9H8Cl2FNO and a molecular weight of 236.07 g/mol. Its IUPAC name is (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine
PubChem CID88811648
Molecular FormulaC9H8Cl2FNO
Molecular Weight236.07 g/mol
Exact Mass235.00
IUPAC Name(NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine
SMILESO/N=C(/CF)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2FNO/c10-7-2-1-6(9(11)4-7)3-8(5-12)13-14/h1-2,4,14H,3,5H2/b13-8+
InChIKeyUILSJASICPZKBR-MDWZMJQESA-N
XLogP3.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 53.34
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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Related Compounds

1-(2,4-dichlorophenyl)-N-methoxypropan-2-imine
CID 76787514
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
(2,4-dichlorophenyl)methylphosphane
CID 134447961
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)-N-ethoxypropan-2-imine
CID 76787512
(2E)-3-(2,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(2,4-dichlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 155528027
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine (CID 88811648) is (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine is O/N=C(/CF)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine?
The InChIKey is UILSJASICPZKBR-MDWZMJQESA-N. The full InChI is InChI=1S/C9H8Cl2FNO/c10-7-2-1-6(9(11)4-7)3-8(5-12)13-14/h1-2,4,14H,3,5H2/b13-8+.
What are the key properties of (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine has a molecular weight of 236.07 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2,4-dichlorophenyl)-3-fluoropropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88811648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).