4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine

C13H16F3N — CID 84801983

IUPAC4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
SMILESFc1cccc(CC2CCNCC2)c1C(F)F
InChIInChI=1S/C13H16F3N/c14-11-3-1-2-10(12(11)13(15)16)8-9-4-6-17-7-5-9/h1-3,9,13,17H,4-8H2
InChIKeyGIOOEAUREOCTCR-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.31
Rot. Bonds3

About 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine

4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine (PubChem CID 84801983) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
PubChem CID84801983
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
SMILESFc1cccc(CC2CCNCC2)c1C(F)F
InChIInChI=1S/C13H16F3N/c14-11-3-1-2-10(12(11)13(15)16)8-9-4-6-17-7-5-9/h1-3,9,13,17H,4-8H2
InChIKeyGIOOEAUREOCTCR-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
CID 117117895
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
CID 18669380
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
4-[[2-(3-fluoro-2-methylphenoxy)phenyl]methyl]piperidine
CID 18669393
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
CID 117355180
4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
CID 117117923
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
The IUPAC name of 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine (CID 84801983) is 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
The canonical SMILES for 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine is Fc1cccc(CC2CCNCC2)c1C(F)F.
What is the InChIKey of 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
The InChIKey is GIOOEAUREOCTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-11-3-1-2-10(12(11)13(15)16)8-9-4-6-17-7-5-9/h1-3,9,13,17H,4-8H2.
What are the key properties of 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine is sourced from PubChem (CID 84801983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).