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

C13H16F3N — CID 117359790

IUPAC2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
SMILESFc1cccc(CC2CCCCN2)c1C(F)F
InChIInChI=1S/C13H16F3N/c14-11-6-3-4-9(12(11)13(15)16)8-10-5-1-2-7-17-10/h3-4,6,10,13,17H,1-2,5,7-8H2
InChIKeyCTPYAJWTWJRWFQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.45
Rot. Bonds3

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

2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine (PubChem CID 117359790) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
PubChem CID117359790
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
SMILESFc1cccc(CC2CCCCN2)c1C(F)F
InChIInChI=1S/C13H16F3N/c14-11-6-3-4-9(12(11)13(15)16)8-10-5-1-2-7-17-10/h3-4,6,10,13,17H,1-2,5,7-8H2
InChIKeyCTPYAJWTWJRWFQ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
CID 84691153
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole
CID 84696786

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
The IUPAC name of 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine (CID 117359790) is 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine.
What is the SMILES notation for 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
The canonical SMILES for 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine is Fc1cccc(CC2CCCCN2)c1C(F)F.
What is the InChIKey of 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
The InChIKey is CTPYAJWTWJRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-11-6-3-4-9(12(11)13(15)16)8-10-5-1-2-7-17-10/h3-4,6,10,13,17H,1-2,5,7-8H2.
What are the key properties of 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine?
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine is sourced from PubChem (CID 117359790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).