1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol

C17H25F2NO — CID 79060702

IUPAC1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1ccc(F)cc1F)N1CCCC1
InChIInChI=1S/C17H25F2NO/c1-3-17(4-2,20-9-5-6-10-20)16(21)11-13-7-8-14(18)12-15(13)19/h7-8,12,16,21H,3-6,9-11H2,1-2H3
InChIKeyFWKDLKMQOJYYML-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.52
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol

1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol (PubChem CID 79060702) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
PubChem CID79060702
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1ccc(F)cc1F)N1CCCC1
InChIInChI=1S/C17H25F2NO/c1-3-17(4-2,20-9-5-6-10-20)16(21)11-13-7-8-14(18)12-15(13)19/h7-8,12,16,21H,3-6,9-11H2,1-2H3
InChIKeyFWKDLKMQOJYYML-UHFFFAOYSA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 115983601
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
CID 79060507
1-(2-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057104
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069489
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82771554
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79067815

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol (CID 79060702) is 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol is CCC(CC)(C(O)Cc1ccc(F)cc1F)N1CCCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The InChIKey is FWKDLKMQOJYYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-17(4-2,20-9-5-6-10-20)16(21)11-13-7-8-14(18)12-15(13)19/h7-8,12,16,21H,3-6,9-11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol has a molecular weight of 297.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol is sourced from PubChem (CID 79060702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).