N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine

C8H14FNO — CID 143800481

IUPACN-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine
SMILESCC(C)C/C=C\C(F)=C/NO
InChIInChI=1S/C8H14FNO/c1-7(2)4-3-5-8(9)6-10-11/h3,5-7,10-11H,4H2,1-2H3/b5-3-,8-6+
InChIKeyBGIPSLPLSHHMFC-CUKJDEOPSA-N
MW159.20 g/mol
LogP2.38
Rot. Bonds4

About N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine

N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine (PubChem CID 143800481) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine
PubChem CID143800481
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC NameN-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine
SMILESCC(C)C/C=C\C(F)=C/NO
InChIInChI=1S/C8H14FNO/c1-7(2)4-3-5-8(9)6-10-11/h3,5-7,10-11H,4H2,1-2H3/b5-3-,8-6+
InChIKeyBGIPSLPLSHHMFC-CUKJDEOPSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine?
The IUPAC name of N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine (CID 143800481) is N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine.
What is the SMILES notation for N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine?
The canonical SMILES for N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine is CC(C)C/C=C\C(F)=C/NO.
What is the InChIKey of N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine?
The InChIKey is BGIPSLPLSHHMFC-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H14FNO/c1-7(2)4-3-5-8(9)6-10-11/h3,5-7,10-11H,4H2,1-2H3/b5-3-,8-6+.
What are the key properties of N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine?
N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine has a molecular weight of 159.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-fluoro-6-methylhepta-1,3-dienyl]hydroxylamine is sourced from PubChem (CID 143800481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).