3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol

C9H9F2NO — CID 169453377

IUPAC3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
SMILESNc1c(F)cc(C=CCO)cc1F
InChIInChI=1S/C9H9F2NO/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h1-2,4-5,13H,3,12H2
InChIKeyHCXBOHKXCZNDAE-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.55
Rot. Bonds2

About 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol

3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol (PubChem CID 169453377) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
PubChem CID169453377
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
SMILESNc1c(F)cc(C=CCO)cc1F
InChIInChI=1S/C9H9F2NO/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h1-2,4-5,13H,3,12H2
InChIKeyHCXBOHKXCZNDAE-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.55
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

3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
CID 79334205
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile
CID 169453655
3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453366
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[4-(4-amino-3,5-difluorophenyl)but-3-enyl]acetamide
CID 170488732
3-(6-chloro-5-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453082
3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
CID 169453035
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoroaniline
CID 115111057
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol (CID 169453377) is 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol is Nc1c(F)cc(C=CCO)cc1F.
What is the InChIKey of 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol?
The InChIKey is HCXBOHKXCZNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h1-2,4-5,13H,3,12H2.
What are the key properties of 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol?
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol has a molecular weight of 185.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).