(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine

C11H10F5NO — CID 66246609

IUPAC(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine
SMILESFc1c(F)c(F)c(O[C@H]2CCCNC2)c(F)c1F
InChIInChI=1S/C11H10F5NO/c12-6-7(13)9(15)11(10(16)8(6)14)18-5-2-1-3-17-4-5/h5,17H,1-4H2/t5-/m0/s1
InChIKeyQEPDBFVMKNPQQA-YFKPBYRVSA-N
MW267.20 g/mol
LogP2.51
Rot. Bonds2

About (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine

(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine (PubChem CID 66246609) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine
PubChem CID66246609
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine
SMILESFc1c(F)c(F)c(O[C@H]2CCCNC2)c(F)c1F
InChIInChI=1S/C11H10F5NO/c12-6-7(13)9(15)11(10(16)8(6)14)18-5-2-1-3-17-4-5/h5,17H,1-4H2/t5-/m0/s1
InChIKeyQEPDBFVMKNPQQA-YFKPBYRVSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine 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

3,5-difluoro-4-piperidin-3-yloxybenzonitrile
CID 81286798
(3R)-3-(3,5-difluorophenoxy)piperidine
CID 94586724
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
(3R)-3-phenoxypiperidine
CID 42553363
5-fluoro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 66247992
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
2-fluoro-4-piperidin-3-yloxyaniline
CID 89089134
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
CID 83807041
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
3-(3,4,5-trimethylphenoxy)piperidine
CID 91468136
3-methoxypiperidine;hydrochloride
CID 23142000

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine?
The IUPAC name of (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine (CID 66246609) is (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine.
What is the SMILES notation for (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine?
The canonical SMILES for (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine is Fc1c(F)c(F)c(O[C@H]2CCCNC2)c(F)c1F.
What is the InChIKey of (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine?
The InChIKey is QEPDBFVMKNPQQA-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H10F5NO/c12-6-7(13)9(15)11(10(16)8(6)14)18-5-2-1-3-17-4-5/h5,17H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine?
(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine has a molecular weight of 267.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine is sourced from PubChem (CID 66246609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).