3-(3-amino-5-fluorophenyl)prop-2-en-1-ol

C9H10FNO — CID 169453038

IUPAC3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
SMILESNc1cc(F)cc(C=CCO)c1
InChIInChI=1S/C9H10FNO/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6,12H,3,11H2
InChIKeyDWCBINBWPAJNCT-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.41
Rot. Bonds2

About 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol

3-(3-amino-5-fluorophenyl)prop-2-en-1-ol (PubChem CID 169453038) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
PubChem CID169453038
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
SMILESNc1cc(F)cc(C=CCO)c1
InChIInChI=1S/C9H10FNO/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6,12H,3,11H2
InChIKeyDWCBINBWPAJNCT-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol (CID 169453038) is 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol is Nc1cc(F)cc(C=CCO)c1.
What is the InChIKey of 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol?
The InChIKey is DWCBINBWPAJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-4-7(2-1-3-12)5-9(11)6-8/h1-2,4-6,12H,3,11H2.
What are the key properties of 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol?
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol has a molecular weight of 167.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).