3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol

C9H6FNO3 — CID 169485314

IUPAC3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol
SMILESO=[N+]([O-])c1ccc(C#CCO)cc1F
InChIInChI=1S/C9H6FNO3/c10-8-6-7(2-1-5-12)3-4-9(8)11(13)14/h3-4,6,12H,5H2
InChIKeyFGNNPNOMRMXJEV-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.08
Rot. Bonds1

About 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol

3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol (PubChem CID 169485314) has the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol. Its IUPAC name is 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol
PubChem CID169485314
Molecular FormulaC9H6FNO3
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol
SMILESO=[N+]([O-])c1ccc(C#CCO)cc1F
InChIInChI=1S/C9H6FNO3/c10-8-6-7(2-1-5-12)3-4-9(8)11(13)14/h3-4,6,12H,5H2
InChIKeyFGNNPNOMRMXJEV-UHFFFAOYSA-N
XLogP1.08
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-2-nitrophenol
CID 169485357
5-(3-hydroxyprop-1-ynyl)-2-nitrobenzaldehyde
CID 169485531
3-(4-methoxy-3-nitrophenyl)prop-2-yn-1-ol
CID 169485534
3-(4-chloro-2-nitrophenyl)prop-2-yn-1-ol
CID 169485317
4-(4-chlorobut-1-ynyl)-1-fluoro-2-nitrobenzene
CID 170468145
3-(4-amino-3-methyl-5-nitrophenyl)prop-2-yn-1-ol
CID 169485471
3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol
CID 169485026
5-(4-bromobut-1-ynyl)-2-nitrobenzoic acid
CID 170466974
2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 169484963
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
CID 60813247
3-[4-(4-nitrophenoxy)phenyl]prop-2-yn-1-ol
CID 23345648
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol (CID 169485314) is 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol is O=[N+]([O-])c1ccc(C#CCO)cc1F.
What is the InChIKey of 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol?
The InChIKey is FGNNPNOMRMXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3/c10-8-6-7(2-1-5-12)3-4-9(8)11(13)14/h3-4,6,12H,5H2.
What are the key properties of 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol?
3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol has a molecular weight of 195.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 169485314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).