1-(4-fluoroanilino)-2-methylbut-3-en-2-ol

C11H14FNO — CID 13123253

IUPAC1-(4-fluoroanilino)-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)CNc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-3-11(2,14)8-13-10-6-4-9(12)5-7-10/h3-7,13-14H,1,8H2,2H3
InChIKeyZUCBYWQSRKVTBF-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol

1-(4-fluoroanilino)-2-methylbut-3-en-2-ol (PubChem CID 13123253) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name1-(4-fluoroanilino)-2-methylbut-3-en-2-ol
PubChem CID13123253
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(4-fluoroanilino)-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)CNc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-3-11(2,14)8-13-10-6-4-9(12)5-7-10/h3-7,13-14H,1,8H2,2H3
InChIKeyZUCBYWQSRKVTBF-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol?
The IUPAC name of 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol (CID 13123253) is 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol.
What is the SMILES notation for 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol?
The canonical SMILES for 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol is C=CC(C)(O)CNc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol?
The InChIKey is ZUCBYWQSRKVTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-11(2,14)8-13-10-6-4-9(12)5-7-10/h3-7,13-14H,1,8H2,2H3.
What are the key properties of 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol?
1-(4-fluoroanilino)-2-methylbut-3-en-2-ol has a molecular weight of 195.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-2-methylbut-3-en-2-ol is sourced from PubChem (CID 13123253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).