(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol

C11H14FNO — CID 157370219

IUPAC(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol
SMILES[H]/N=C(\C)CC[C@H](O)c1ccc([18F])cc1
InChIInChI=1S/C11H14FNO/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7H2,1H3/b13-8+/t11-/m0/s1/i12-1
InChIKeyTZMJSFVBVWYVBZ-SYRQVWLKSA-N
MW194.24 g/mol
LogP2.68
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol

(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol (PubChem CID 157370219) has the molecular formula C11H14FNO and a molecular weight of 194.24 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol
PubChem CID157370219
Molecular FormulaC11H14FNO
Molecular Weight194.24 g/mol
Exact Mass194.11
IUPAC Name(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol
SMILES[H]/N=C(\C)CC[C@H](O)c1ccc([18F])cc1
InChIInChI=1S/C11H14FNO/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7H2,1H3/b13-8+/t11-/m0/s1/i12-1
InChIKeyTZMJSFVBVWYVBZ-SYRQVWLKSA-N
XLogP2.68
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.68
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 (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol (CID 157370219) is (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol is [H]/N=C(\C)CC[C@H](O)c1ccc([18F])cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol?
The InChIKey is TZMJSFVBVWYVBZ-SYRQVWLKSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(13)2-7-11(14)9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7H2,1H3/b13-8+/t11-/m0/s1/i12-1.
What are the key properties of (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol?
(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol has a molecular weight of 194.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol is sourced from PubChem (CID 157370219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).