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

C9H10FNO — CID 169453035

IUPAC3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
SMILESNc1ccc(C=CCO)c(F)c1
InChIInChI=1S/C9H10FNO/c10-9-6-8(11)4-3-7(9)2-1-5-12/h1-4,6,12H,5,11H2
InChIKeyOIXWFEVAINGMBR-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.41
Rot. Bonds2

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

3-(4-amino-2-fluorophenyl)prop-2-en-1-ol (PubChem CID 169453035) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
PubChem CID169453035
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
SMILESNc1ccc(C=CCO)c(F)c1
InChIInChI=1S/C9H10FNO/c10-9-6-8(11)4-3-7(9)2-1-5-12/h1-4,6,12H,5,11H2
InChIKeyOIXWFEVAINGMBR-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

4-(4-amino-2-fluorophenyl)but-3-enoic acid
CID 170483256
S-[3-(4-amino-2-fluorophenyl)prop-2-enyl] ethanethioate
CID 169456877
3-(5-amino-2-chlorophenyl)prop-2-en-1-ol
CID 169453032
3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453366
(E)-3-(2-fluoro-4-pyrimidin-2-ylphenyl)prop-2-en-1-ol
CID 22630878
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
3-(4-amino-2-fluoro-3-methylphenyl)prop-2-en-1-ol
CID 169453324
[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455042
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453377
[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol (CID 169453035) is 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol is Nc1ccc(C=CCO)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol?
The InChIKey is OIXWFEVAINGMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-9-6-8(11)4-3-7(9)2-1-5-12/h1-4,6,12H,5,11H2.
What are the key properties of 3-(4-amino-2-fluorophenyl)prop-2-en-1-ol?
3-(4-amino-2-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-2-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).