1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol

C16H23F2NO — CID 79067738

IUPAC1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C16H23F2NO/c1-3-16(4-2,19-10-5-6-11-19)15(20)14-12(17)8-7-9-13(14)18/h7-9,15,20H,3-6,10-11H2,1-2H3
InChIKeyBDFUJWGVWWZXSK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.65
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol

1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79067738) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79067738
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C16H23F2NO/c1-3-16(4-2,19-10-5-6-11-19)15(20)14-12(17)8-7-9-13(14)18/h7-9,15,20H,3-6,10-11H2,1-2H3
InChIKeyBDFUJWGVWWZXSK-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 115983601
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2-chloro-6-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79060740
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82771554
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114744642
2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79988633
2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79067188
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 79138972
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol (CID 79067738) is 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(CC)(C(O)c1c(F)cccc1F)N1CCCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is BDFUJWGVWWZXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-16(4-2,19-10-5-6-11-19)15(20)14-12(17)8-7-9-13(14)18/h7-9,15,20H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 283.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79067738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).