(NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine

C10H11F2NO3 — CID 42912350

IUPAC(NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N/O)ccc1OC(F)F
InChIInChI=1S/C10H11F2NO3/c1-6(13-14)7-3-4-8(16-10(11)12)9(5-7)15-2/h3-5,10,14H,1-2H3/b13-6+
InChIKeySRDXBYYFFZMRDX-AWNIVKPZSA-N
MW231.20 g/mol
LogP2.49
Rot. Bonds4

About (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine (PubChem CID 42912350) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine
PubChem CID42912350
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N/O)ccc1OC(F)F
InChIInChI=1S/C10H11F2NO3/c1-6(13-14)7-3-4-8(16-10(11)12)9(5-7)15-2/h3-5,10,14H,1-2H3/b13-6+
InChIKeySRDXBYYFFZMRDX-AWNIVKPZSA-N
XLogP2.49
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine (CID 42912350) is (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine is COc1cc(/C(C)=N/O)ccc1OC(F)F.
What is the InChIKey of (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine?
The InChIKey is SRDXBYYFFZMRDX-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-6(13-14)7-3-4-8(16-10(11)12)9(5-7)15-2/h3-5,10,14H,1-2H3/b13-6+.
What are the key properties of (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine has a molecular weight of 231.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 42912350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).