4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane

C12H25F2NO — CID 176694210

IUPAC4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane
SMILESCC.COCC1CN(C(C)C)CCC1(F)F
InChIInChI=1S/C10H19F2NO.C2H6/c1-8(2)13-5-4-10(11,12)9(6-13)7-14-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyXDTXGUAQWMDMBH-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.02
Rot. Bonds3

About 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane

4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane (PubChem CID 176694210) has the molecular formula C12H25F2NO and a molecular weight of 237.33 g/mol. Its IUPAC name is 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane.

Molecular Properties

Compound Name4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane
PubChem CID176694210
Molecular FormulaC12H25F2NO
Molecular Weight237.33 g/mol
Exact Mass237.19
IUPAC Name4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane
SMILESCC.COCC1CN(C(C)C)CCC1(F)F
InChIInChI=1S/C10H19F2NO.C2H6/c1-8(2)13-5-4-10(11,12)9(6-13)7-14-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyXDTXGUAQWMDMBH-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 126778899
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CID 126790286
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CID 122664383
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CID 130226795
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CID 130418357
CID 130418357
CID 130418382
CID 130418382
CID 131132944
CID 131132944
CID 137419206
CID 137419206
CID 139364333
CID 139364333
CID 144507261
CID 144507261
CID 144865121
CID 144865121
CID 146500778
CID 146500778

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane?
The IUPAC name of 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane (CID 176694210) is 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane.
What is the SMILES notation for 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane?
The canonical SMILES for 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane is CC.COCC1CN(C(C)C)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane?
The InChIKey is XDTXGUAQWMDMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO.C2H6/c1-8(2)13-5-4-10(11,12)9(6-13)7-14-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane?
4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane has a molecular weight of 237.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(methoxymethyl)-1-propan-2-ylpiperidine;ethane is sourced from PubChem (CID 176694210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).