N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine

C12H14FNO2 — CID 143150413

IUPACN-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine
SMILESC/C=C\C1Cc2cc(F)ccc2OC1NO
InChIInChI=1S/C12H14FNO2/c1-2-3-8-6-9-7-10(13)4-5-11(9)16-12(8)14-15/h2-5,7-8,12,14-15H,6H2,1H3/b3-2-
InChIKeyQBRTXQFXQVSREF-IHWYPQMZSA-N
MW223.25 g/mol
LogP2.26
Rot. Bonds2

About N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine

N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine (PubChem CID 143150413) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine
PubChem CID143150413
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine
SMILESC/C=C\C1Cc2cc(F)ccc2OC1NO
InChIInChI=1S/C12H14FNO2/c1-2-3-8-6-9-7-10(13)4-5-11(9)16-12(8)14-15/h2-5,7-8,12,14-15H,6H2,1H3/b3-2-
InChIKeyQBRTXQFXQVSREF-IHWYPQMZSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine?
The IUPAC name of N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine (CID 143150413) is N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine.
What is the SMILES notation for N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine?
The canonical SMILES for N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine is C/C=C\C1Cc2cc(F)ccc2OC1NO.
What is the InChIKey of N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine?
The InChIKey is QBRTXQFXQVSREF-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-3-8-6-9-7-10(13)4-5-11(9)16-12(8)14-15/h2-5,7-8,12,14-15H,6H2,1H3/b3-2-.
What are the key properties of N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine?
N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine has a molecular weight of 223.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-chromen-2-yl]hydroxylamine is sourced from PubChem (CID 143150413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).