1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine

C11H11ClF2N2O2 — CID 163241693

IUPAC1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCC(F)(F)CC1
InChIInChI=1S/C11H11ClF2N2O2/c12-8-2-1-3-9(16(17)18)10(8)15-6-4-11(13,14)5-7-15/h1-3H,4-7H2
InChIKeyDGHGOFDLRNXLKS-UHFFFAOYSA-N
MW276.67 g/mol
LogP3.48
Rot. Bonds2

About 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine

1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine (PubChem CID 163241693) has the molecular formula C11H11ClF2N2O2 and a molecular weight of 276.67 g/mol. Its IUPAC name is 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine
PubChem CID163241693
Molecular FormulaC11H11ClF2N2O2
Molecular Weight276.67 g/mol
Exact Mass276.05
IUPAC Name1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCC(F)(F)CC1
InChIInChI=1S/C11H11ClF2N2O2/c12-8-2-1-3-9(16(17)18)10(8)15-6-4-11(13,14)5-7-15/h1-3H,4-7H2
InChIKeyDGHGOFDLRNXLKS-UHFFFAOYSA-N
XLogP3.48
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 53.48
H-Bond Donors ≤ 50
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'}

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Related Compounds

4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine
CID 137333212
4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide
CID 163241609
2-(4,4-difluoropiperidin-1-yl)-6-nitrobenzonitrile
CID 171835903
1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3740167
[1-(2-chloro-6-nitrophenyl)piperidin-4-yl] carbamate
CID 175117649
(4-chloro-3-nitrophenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone
CID 22778253
1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]hexan-1-one
CID 2958691
1-[4-[2,5-bis(4-chloro-3-nitrophenyl)pyrrolidin-1-yl]-2,6-difluorophenyl]-4,4-difluoropiperidine
CID 123958240
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016
2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine
CID 170943771
2,3-dichloro-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide
CID 23097126
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 4000572

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine?
The IUPAC name of 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine (CID 163241693) is 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine is O=[N+]([O-])c1cccc(Cl)c1N1CCC(F)(F)CC1.
What is the InChIKey of 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine?
The InChIKey is DGHGOFDLRNXLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O2/c12-8-2-1-3-9(16(17)18)10(8)15-6-4-11(13,14)5-7-15/h1-3H,4-7H2.
What are the key properties of 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine?
1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine has a molecular weight of 276.67 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine is sourced from PubChem (CID 163241693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).