1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol

C17H25ClFNO — CID 115983601

IUPAC1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1cccc(F)c1Cl)N1CCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-17(4-2,20-10-5-6-11-20)15(21)12-13-8-7-9-14(19)16(13)18/h7-9,15,21H,3-6,10-12H2,1-2H3
InChIKeyUXPFEQOJUXIWAR-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol

1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol (PubChem CID 115983601) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
PubChem CID115983601
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1cccc(F)c1Cl)N1CCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-17(4-2,20-10-5-6-11-20)15(21)12-13-8-7-9-14(19)16(13)18/h7-9,15,21H,3-6,10-12H2,1-2H3
InChIKeyUXPFEQOJUXIWAR-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 107308802
1-(2-chloro-6-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79060740
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 107308193
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol (CID 115983601) is 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol is CCC(CC)(C(O)Cc1cccc(F)c1Cl)N1CCCC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
The InChIKey is UXPFEQOJUXIWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-17(4-2,20-10-5-6-11-20)15(21)12-13-8-7-9-14(19)16(13)18/h7-9,15,21H,3-6,10-12H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol has a molecular weight of 313.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol is sourced from PubChem (CID 115983601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).