2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol

C14H19ClFNO — CID 90765003

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1CCC(O)C1c1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-9(2)8-17-7-6-12(18)14(17)10-4-3-5-11(15)13(10)16/h3-5,9,12,14,18H,6-8H2,1-2H3
InChIKeyOJYHUVDIGQCSEN-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.24
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol

2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 90765003) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID90765003
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1CCC(O)C1c1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-9(2)8-17-7-6-12(18)14(17)10-4-3-5-11(15)13(10)16/h3-5,9,12,14,18H,6-8H2,1-2H3
InChIKeyOJYHUVDIGQCSEN-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol (CID 90765003) is 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol is CC(C)CN1CCC(O)C1c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is OJYHUVDIGQCSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9(2)8-17-7-6-12(18)14(17)10-4-3-5-11(15)13(10)16/h3-5,9,12,14,18H,6-8H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 271.76 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 90765003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).