3-(4-amino-3-fluorophenyl)prop-2-en-1-ol

C9H10FNO — CID 169453039

IUPAC3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
SMILESNc1ccc(C=CCO)cc1F
InChIInChI=1S/C9H10FNO/c10-8-6-7(2-1-5-12)3-4-9(8)11/h1-4,6,12H,5,11H2
InChIKeyILRAVFLPVZMVPU-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.41
Rot. Bonds2

About 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol

3-(4-amino-3-fluorophenyl)prop-2-en-1-ol (PubChem CID 169453039) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
PubChem CID169453039
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
SMILESNc1ccc(C=CCO)cc1F
InChIInChI=1S/C9H10FNO/c10-8-6-7(2-1-5-12)3-4-9(8)11/h1-4,6,12H,5,11H2
InChIKeyILRAVFLPVZMVPU-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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Related Compounds

2-amino-5-(3-hydroxyprop-1-enyl)phenol
CID 169453102
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453377
3-(3-amino-4-hydroperoxyphenyl)prop-2-en-1-ol
CID 123425328
3-(3-amino-4-chlorophenyl)prop-2-en-1-ol
CID 169453053
3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
CID 79334205
4-(4-azidobut-1-enyl)-2-fluoroaniline
CID 170484952
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
CID 169453360
2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid
CID 169453752
[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol
CID 169463643
methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate
CID 169478768
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol (CID 169453039) is 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol is Nc1ccc(C=CCO)cc1F.
What is the InChIKey of 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol?
The InChIKey is ILRAVFLPVZMVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-6-7(2-1-5-12)3-4-9(8)11/h1-4,6,12H,5,11H2.
What are the key properties of 3-(4-amino-3-fluorophenyl)prop-2-en-1-ol?
3-(4-amino-3-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-(4-amino-3-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).