3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol

C15H19ClFNO — CID 103047794

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)(Cc2cc(Cl)ccc2F)CN1C1CC1
InChIInChI=1S/C15H19ClFNO/c1-10-7-15(19,9-18(10)13-3-4-13)8-11-6-12(16)2-5-14(11)17/h2,5-6,10,13,19H,3-4,7-9H2,1H3
InChIKeyYNQOZEGYPGZOQS-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.01
Rot. Bonds3

About 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol

3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol (PubChem CID 103047794) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol
PubChem CID103047794
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)(Cc2cc(Cl)ccc2F)CN1C1CC1
InChIInChI=1S/C15H19ClFNO/c1-10-7-15(19,9-18(10)13-3-4-13)8-11-6-12(16)2-5-14(11)17/h2,5-6,10,13,19H,3-4,7-9H2,1H3
InChIKeyYNQOZEGYPGZOQS-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol (CID 103047794) is 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol is CC1CC(O)(Cc2cc(Cl)ccc2F)CN1C1CC1.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
The InChIKey is YNQOZEGYPGZOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10-7-15(19,9-18(10)13-3-4-13)8-11-6-12(16)2-5-14(11)17/h2,5-6,10,13,19H,3-4,7-9H2,1H3.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol has a molecular weight of 283.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 103047794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).