3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine

C14H18ClF2N — CID 102622006

IUPAC3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1cc(F)ccc1Cl)C1CCCNC1
InChIInChI=1S/C14H18ClF2N/c1-14(17,11-3-2-6-18-9-11)8-10-7-12(16)4-5-13(10)15/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKeyZIZYTLHFNWULCM-UHFFFAOYSA-N
MW273.75 g/mol
LogP3.75
Rot. Bonds3

About 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine

3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine (PubChem CID 102622006) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
PubChem CID102622006
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1cc(F)ccc1Cl)C1CCCNC1
InChIInChI=1S/C14H18ClF2N/c1-14(17,11-3-2-6-18-9-11)8-10-7-12(16)4-5-13(10)15/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKeyZIZYTLHFNWULCM-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
1-(2-chloro-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611204
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-1-chloro-4-fluorobenzene
CID 102621639
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
2-(2-fluoro-2-piperidin-3-ylpropyl)pyridine
CID 112564766
3-[1-(5-bromothiophen-2-yl)-2-fluoropropan-2-yl]piperidine
CID 112564880
1-(4-chloro-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 107890407

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine (CID 102622006) is 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine is CC(F)(Cc1cc(F)ccc1Cl)C1CCCNC1.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine?
The InChIKey is ZIZYTLHFNWULCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c1-14(17,11-3-2-6-18-9-11)8-10-7-12(16)4-5-13(10)15/h4-5,7,11,18H,2-3,6,8-9H2,1H3.
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine?
3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine has a molecular weight of 273.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine is sourced from PubChem (CID 102622006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).