3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine

C14H18F3N — CID 105411746

IUPAC3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1cc(F)cc(F)c1)C1CCCNC1
InChIInChI=1S/C14H18F3N/c1-14(17,11-3-2-4-18-9-11)8-10-5-12(15)7-13(16)6-10/h5-7,11,18H,2-4,8-9H2,1H3
InChIKeyDTRTWCAGJFJXPY-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.24
Rot. Bonds3

About 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine

3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine (PubChem CID 105411746) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
PubChem CID105411746
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
SMILESCC(F)(Cc1cc(F)cc(F)c1)C1CCCNC1
InChIInChI=1S/C14H18F3N/c1-14(17,11-3-2-4-18-9-11)8-10-5-12(15)7-13(16)6-10/h5-7,11,18H,2-4,8-9H2,1H3
InChIKeyDTRTWCAGJFJXPY-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine?
The IUPAC name of 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine (CID 105411746) is 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine?
The canonical SMILES for 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine is CC(F)(Cc1cc(F)cc(F)c1)C1CCCNC1.
What is the InChIKey of 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine?
The InChIKey is DTRTWCAGJFJXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-14(17,11-3-2-4-18-9-11)8-10-5-12(15)7-13(16)6-10/h5-7,11,18H,2-4,8-9H2,1H3.
What are the key properties of 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine?
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine has a molecular weight of 257.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine is sourced from PubChem (CID 105411746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).