1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine

C11H17F4NO — CID 172588179

IUPAC1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
SMILESCOC[C@]1(CN2CCC(F)(F)CC2)CC1(F)F
InChIInChI=1S/C11H17F4NO/c1-17-8-9(6-11(9,14)15)7-16-4-2-10(12,13)3-5-16/h2-8H2,1H3/t9-/m1/s1
InChIKeyMHXVTZBYHWGYAW-SECBINFHSA-N
MW255.25 g/mol
LogP2.39
Rot. Bonds4

About 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine

1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine (PubChem CID 172588179) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
PubChem CID172588179
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
SMILESCOC[C@]1(CN2CCC(F)(F)CC2)CC1(F)F
InChIInChI=1S/C11H17F4NO/c1-17-8-9(6-11(9,14)15)7-16-4-2-10(12,13)3-5-16/h2-8H2,1H3/t9-/m1/s1
InChIKeyMHXVTZBYHWGYAW-SECBINFHSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
(1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 116991256
[1-[(3,3-Difluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 116991375
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine
CID 130418399
1-[1,2,3,3,3-Pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine
CID 130418431
4-(Difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine
CID 134274365
4-(Difluoromethoxy)-1-(2,2-dimethylpropyl)piperidine
CID 137419096
4-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
CID 137419205
4-Methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 147253901
[1-(Piperidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878819

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine (CID 172588179) is 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine is COC[C@]1(CN2CCC(F)(F)CC2)CC1(F)F.
What is the InChIKey of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
The InChIKey is MHXVTZBYHWGYAW-SECBINFHSA-N. The full InChI is InChI=1S/C11H17F4NO/c1-17-8-9(6-11(9,14)15)7-16-4-2-10(12,13)3-5-16/h2-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine?
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine has a molecular weight of 255.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 172588179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).