1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine

C12H13F4NO — CID 177192883

IUPAC1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine
SMILESCOc1ccc(F)c(F)c1N1CCC(F)(F)CC1
InChIInChI=1S/C12H13F4NO/c1-18-9-3-2-8(13)10(14)11(9)17-6-4-12(15,16)5-7-17/h2-3H,4-7H2,1H3
InChIKeyVHPXPSXSEMQEQL-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.21
Rot. Bonds2

About 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine

1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine (PubChem CID 177192883) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine
PubChem CID177192883
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine
SMILESCOc1ccc(F)c(F)c1N1CCC(F)(F)CC1
InChIInChI=1S/C12H13F4NO/c1-18-9-3-2-8(13)10(14)11(9)17-6-4-12(15,16)5-7-17/h2-3H,4-7H2,1H3
InChIKeyVHPXPSXSEMQEQL-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine
CID 177192241
4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine
CID 177193342
1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine
CID 84802715
4-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 57416121
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
CID 175324243
1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanethiol
CID 175324246
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine?
The IUPAC name of 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine (CID 177192883) is 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine is COc1ccc(F)c(F)c1N1CCC(F)(F)CC1.
What is the InChIKey of 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine?
The InChIKey is VHPXPSXSEMQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-18-9-3-2-8(13)10(14)11(9)17-6-4-12(15,16)5-7-17/h2-3H,4-7H2,1H3.
What are the key properties of 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine?
1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine has a molecular weight of 263.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine is sourced from PubChem (CID 177192883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).