(NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine

C9H13F2NO — CID 118667305

IUPAC(NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine
SMILESC/C=C(F)\C=C(F)/C(=N/O)C(C)C
InChIInChI=1S/C9H13F2NO/c1-4-7(10)5-8(11)9(12-13)6(2)3/h4-6,13H,1-3H3/b7-4+,8-5+,12-9+
InChIKeyIOKLLOIZPRKFGG-ITLIKTLWSA-N
MW189.20 g/mol
LogP3.20
Rot. Bonds3

About (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine

(NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine (PubChem CID 118667305) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine
PubChem CID118667305
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name(NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine
SMILESC/C=C(F)\C=C(F)/C(=N/O)C(C)C
InChIInChI=1S/C9H13F2NO/c1-4-7(10)5-8(11)9(12-13)6(2)3/h4-6,13H,1-3H3/b7-4+,8-5+,12-9+
InChIKeyIOKLLOIZPRKFGG-ITLIKTLWSA-N
XLogP3.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 53.20
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine (CID 118667305) is (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine is C/C=C(F)\C=C(F)/C(=N/O)C(C)C.
What is the InChIKey of (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine?
The InChIKey is IOKLLOIZPRKFGG-ITLIKTLWSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-4-7(10)5-8(11)9(12-13)6(2)3/h4-6,13H,1-3H3/b7-4+,8-5+,12-9+.
What are the key properties of (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine?
(NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine has a molecular weight of 189.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4E,6E)-4,6-difluoro-2-methylocta-4,6-dien-3-ylidene]hydroxylamine is sourced from PubChem (CID 118667305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).