4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine

C9H15F2N — CID 162610218

IUPAC4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine
SMILESC[C@H]1CC1N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-7-6-8(7)12-4-2-9(10,11)3-5-12/h7-8H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyKUVZLFHGHLYDNJ-JAMMHHFISA-N
MW175.22 g/mol
LogP2.13
Rot. Bonds1

About 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine

4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine (PubChem CID 162610218) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine
PubChem CID162610218
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine
SMILESC[C@H]1CC1N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-7-6-8(7)12-4-2-9(10,11)3-5-12/h7-8H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyKUVZLFHGHLYDNJ-JAMMHHFISA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine (CID 162610218) is 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine is C[C@H]1CC1N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine?
The InChIKey is KUVZLFHGHLYDNJ-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15F2N/c1-7-6-8(7)12-4-2-9(10,11)3-5-12/h7-8H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine?
4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine has a molecular weight of 175.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine is sourced from PubChem (CID 162610218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).