1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol

C15H28FNO2 — CID 176951333

IUPAC1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol
SMILESCC(C)C(O)(O)[C@]1(C)N(CC2CC2F)CCC1(C)C
InChIInChI=1S/C15H28FNO2/c1-10(2)15(18,19)14(5)13(3,4)6-7-17(14)9-11-8-12(11)16/h10-12,18-19H,6-9H2,1-5H3/t11?,12?,14-/m1/s1
InChIKeyLFBWQHRABZRMER-ORHYLEIMSA-N
MW273.39 g/mol
LogP2.17
Rot. Bonds4

About 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol

1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol (PubChem CID 176951333) has the molecular formula C15H28FNO2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol.

Molecular Properties

Compound Name1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol
PubChem CID176951333
Molecular FormulaC15H28FNO2
Molecular Weight273.39 g/mol
Exact Mass273.21
IUPAC Name1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol
SMILESCC(C)C(O)(O)[C@]1(C)N(CC2CC2F)CCC1(C)C
InChIInChI=1S/C15H28FNO2/c1-10(2)15(18,19)14(5)13(3,4)6-7-17(14)9-11-8-12(11)16/h10-12,18-19H,6-9H2,1-5H3/t11?,12?,14-/m1/s1
InChIKeyLFBWQHRABZRMER-ORHYLEIMSA-N
XLogP2.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol?
The IUPAC name of 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol (CID 176951333) is 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol.
What is the SMILES notation for 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol?
The canonical SMILES for 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol is CC(C)C(O)(O)[C@]1(C)N(CC2CC2F)CCC1(C)C.
What is the InChIKey of 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol?
The InChIKey is LFBWQHRABZRMER-ORHYLEIMSA-N. The full InChI is InChI=1S/C15H28FNO2/c1-10(2)15(18,19)14(5)13(3,4)6-7-17(14)9-11-8-12(11)16/h10-12,18-19H,6-9H2,1-5H3/t11?,12?,14-/m1/s1.
What are the key properties of 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol?
1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol has a molecular weight of 273.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[(2-fluorocyclopropyl)methyl]-2,3,3-trimethylpyrrolidin-2-yl]-2-methylpropane-1,1-diol is sourced from PubChem (CID 176951333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).