3,3-difluoro-1-(3-methoxycyclobutyl)piperidine

C10H17F2NO — CID 167218106

IUPAC3,3-difluoro-1-(3-methoxycyclobutyl)piperidine
SMILESCOC1CC(N2CCCC(F)(F)C2)C1
InChIInChI=1S/C10H17F2NO/c1-14-9-5-8(6-9)13-4-2-3-10(11,12)7-13/h8-9H,2-7H2,1H3
InChIKeyFVMQIJWWDFTRFD-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.89
Rot. Bonds2

About 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine

3,3-difluoro-1-(3-methoxycyclobutyl)piperidine (PubChem CID 167218106) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methoxycyclobutyl)piperidine
PubChem CID167218106
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3,3-difluoro-1-(3-methoxycyclobutyl)piperidine
SMILESCOC1CC(N2CCCC(F)(F)C2)C1
InChIInChI=1S/C10H17F2NO/c1-14-9-5-8(6-9)13-4-2-3-10(11,12)7-13/h8-9H,2-7H2,1H3
InChIKeyFVMQIJWWDFTRFD-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine (CID 167218106) is 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine is COC1CC(N2CCCC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine?
The InChIKey is FVMQIJWWDFTRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-14-9-5-8(6-9)13-4-2-3-10(11,12)7-13/h8-9H,2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine?
3,3-difluoro-1-(3-methoxycyclobutyl)piperidine has a molecular weight of 205.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methoxycyclobutyl)piperidine is sourced from PubChem (CID 167218106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).