3-(2-fluoro-4-nitrophenyl)pentan-2-ol

C11H14FNO3 — CID 63201531

IUPAC3-(2-fluoro-4-nitrophenyl)pentan-2-ol
SMILESCCC(c1ccc([N+](=O)[O-])cc1F)C(C)O
InChIInChI=1S/C11H14FNO3/c1-3-9(7(2)14)10-5-4-8(13(15)16)6-11(10)12/h4-7,9,14H,3H2,1-2H3
InChIKeyRSKQOOSMPOCEFJ-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.61
Rot. Bonds4

About 3-(2-fluoro-4-nitrophenyl)pentan-2-ol

3-(2-fluoro-4-nitrophenyl)pentan-2-ol (PubChem CID 63201531) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenyl)pentan-2-ol
PubChem CID63201531
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-(2-fluoro-4-nitrophenyl)pentan-2-ol
SMILESCCC(c1ccc([N+](=O)[O-])cc1F)C(C)O
InChIInChI=1S/C11H14FNO3/c1-3-9(7(2)14)10-5-4-8(13(15)16)6-11(10)12/h4-7,9,14H,3H2,1-2H3
InChIKeyRSKQOOSMPOCEFJ-UHFFFAOYSA-N
XLogP2.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.61
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'}

Analyze 3-(2-fluoro-4-nitrophenyl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-4-nitrophenyl)pentan-2-ol
CID 55162265
N-ethyl-3-(2-fluoro-4-nitrophenyl)pentan-2-amine
CID 55162012
2-(2-hydroxypentan-3-yl)-5-nitrobenzonitrile
CID 115501745
2-(2-fluoro-4-nitrophenyl)pentan-3-one
CID 63549818
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
CID 66514219
2-(2-fluoro-4-nitrophenyl)-4-methylpentanoic acid
CID 104571746
1-(2-fluoro-4-nitrophenyl)propan-2-ol
CID 63201423
(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 16659475
2-fluoro-N-(2-methylpentan-3-yl)-4-nitroaniline
CID 61472864
3-(2-fluoro-4-nitroanilino)pentan-1-ol
CID 113240569
2-chloro-1-(2-chloropentan-3-yl)-4-nitrobenzene
CID 63202945
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-nitrophenyl)pentan-2-ol?
The IUPAC name of 3-(2-fluoro-4-nitrophenyl)pentan-2-ol (CID 63201531) is 3-(2-fluoro-4-nitrophenyl)pentan-2-ol.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenyl)pentan-2-ol?
The canonical SMILES for 3-(2-fluoro-4-nitrophenyl)pentan-2-ol is CCC(c1ccc([N+](=O)[O-])cc1F)C(C)O.
What is the InChIKey of 3-(2-fluoro-4-nitrophenyl)pentan-2-ol?
The InChIKey is RSKQOOSMPOCEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-3-9(7(2)14)10-5-4-8(13(15)16)6-11(10)12/h4-7,9,14H,3H2,1-2H3.
What are the key properties of 3-(2-fluoro-4-nitrophenyl)pentan-2-ol?
3-(2-fluoro-4-nitrophenyl)pentan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenyl)pentan-2-ol is sourced from PubChem (CID 63201531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).