(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine

C10H18F2N2 — CID 155100896

IUPAC(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESFC1(F)CCN[C@H](CN2CCCC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-4-13-9(7-10)8-14-5-1-2-6-14/h9,13H,1-8H2/t9-/m0/s1
InChIKeyHFAOFFSBOFCSCA-VIFPVBQESA-N
MW204.26 g/mol
LogP1.47
Rot. Bonds2

About (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine

(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 155100896) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID155100896
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESFC1(F)CCN[C@H](CN2CCCC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-4-13-9(7-10)8-14-5-1-2-6-14/h9,13H,1-8H2/t9-/m0/s1
InChIKeyHFAOFFSBOFCSCA-VIFPVBQESA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine (CID 155100896) is (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine is FC1(F)CCN[C@H](CN2CCCC2)C1.
What is the InChIKey of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is HFAOFFSBOFCSCA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)3-4-13-9(7-10)8-14-5-1-2-6-14/h9,13H,1-8H2/t9-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine?
(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 204.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 155100896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).