[2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol

C11H12FNO — CID 163900178

IUPAC[2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol
SMILES[H]/N=C/C(=C\C)c1cccc(CO)c1F
InChIInChI=1S/C11H12FNO/c1-2-8(6-13)10-5-3-4-9(7-14)11(10)12/h2-6,13-14H,7H2,1H3/b8-2+,13-6+
InChIKeyQJCYJYIJKSXMTF-VREFNPTMSA-N
MW193.22 g/mol
LogP2.37
Rot. Bonds3

About [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol

[2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol (PubChem CID 163900178) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol
PubChem CID163900178
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name[2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol
SMILES[H]/N=C/C(=C\C)c1cccc(CO)c1F
InChIInChI=1S/C11H12FNO/c1-2-8(6-13)10-5-3-4-9(7-14)11(10)12/h2-6,13-14H,7H2,1H3/b8-2+,13-6+
InChIKeyQJCYJYIJKSXMTF-VREFNPTMSA-N
XLogP2.37
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol (CID 163900178) is [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol is [H]/N=C/C(=C\C)c1cccc(CO)c1F.
What is the InChIKey of [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol?
The InChIKey is QJCYJYIJKSXMTF-VREFNPTMSA-N. The full InChI is InChI=1S/C11H12FNO/c1-2-8(6-13)10-5-3-4-9(7-14)11(10)12/h2-6,13-14H,7H2,1H3/b8-2+,13-6+.
What are the key properties of [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol?
[2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol has a molecular weight of 193.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[(Z)-1-iminobut-2-en-2-yl]phenyl]methanol is sourced from PubChem (CID 163900178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).