1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol

C14H19F2NO — CID 110019990

IUPAC1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-9(11-3-4-13(15)14(16)7-11)17-6-5-12(8-17)10(2)18/h3-4,7,9-10,12,18H,5-6,8H2,1-2H3
InChIKeyGOTDGQMFAQMOOL-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.73
Rot. Bonds3

About 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol

1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 110019990) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID110019990
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-9(11-3-4-13(15)14(16)7-11)17-6-5-12(8-17)10(2)18/h3-4,7,9-10,12,18H,5-6,8H2,1-2H3
InChIKeyGOTDGQMFAQMOOL-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol (CID 110019990) is 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(C(C)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is GOTDGQMFAQMOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(11-3-4-13(15)14(16)7-11)17-6-5-12(8-17)10(2)18/h3-4,7,9-10,12,18H,5-6,8H2,1-2H3.
What are the key properties of 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol?
1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 255.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110019990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).