2-[2-chloro-5-(difluoromethyl)phenyl]piperidine

C12H14ClF2N — CID 84705366

IUPAC2-[2-chloro-5-(difluoromethyl)phenyl]piperidine
SMILESFC(F)c1ccc(Cl)c(C2CCCCN2)c1
InChIInChI=1S/C12H14ClF2N/c13-10-5-4-8(12(14)15)7-9(10)11-3-1-2-6-16-11/h4-5,7,11-12,16H,1-3,6H2
InChIKeyOWZYZUCPYHDOQC-UHFFFAOYSA-N
MW245.70 g/mol
LogP4.09
Rot. Bonds2

About 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine

2-[2-chloro-5-(difluoromethyl)phenyl]piperidine (PubChem CID 84705366) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name2-[2-chloro-5-(difluoromethyl)phenyl]piperidine
PubChem CID84705366
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name2-[2-chloro-5-(difluoromethyl)phenyl]piperidine
SMILESFC(F)c1ccc(Cl)c(C2CCCCN2)c1
InChIInChI=1S/C12H14ClF2N/c13-10-5-4-8(12(14)15)7-9(10)11-3-1-2-6-16-11/h4-5,7,11-12,16H,1-3,6H2
InChIKeyOWZYZUCPYHDOQC-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
CID 77131569
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine
CID 84695145
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
2-(3-chloro-4-pyridinyl)azepane
CID 4542495
2-(2-chloro-5-methylsulfonylphenyl)pyrrolidine
CID 117403692

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine?
The IUPAC name of 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine (CID 84705366) is 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine.
What is the SMILES notation for 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine?
The canonical SMILES for 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine is FC(F)c1ccc(Cl)c(C2CCCCN2)c1.
What is the InChIKey of 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine?
The InChIKey is OWZYZUCPYHDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-5-4-8(12(14)15)7-9(10)11-3-1-2-6-16-11/h4-5,7,11-12,16H,1-3,6H2.
What are the key properties of 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine?
2-[2-chloro-5-(difluoromethyl)phenyl]piperidine has a molecular weight of 245.70 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(difluoromethyl)phenyl]piperidine is sourced from PubChem (CID 84705366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).