(4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol

C14H18F3NO — CID 161008700

IUPAC(4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol
SMILESCC(C)(C)N1C[C@@H](c2cc(F)cc(F)c2F)CC1O
InChIInChI=1S/C14H18F3NO/c1-14(2,3)18-7-8(4-12(18)19)10-5-9(15)6-11(16)13(10)17/h5-6,8,12,19H,4,7H2,1-3H3/t8-,12?/m0/s1
InChIKeyTWVQPXHHIZPPOP-KBPLZSHQSA-N
MW273.30 g/mol
LogP3.01
Rot. Bonds1

About (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol

(4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol (PubChem CID 161008700) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol
PubChem CID161008700
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol
SMILESCC(C)(C)N1C[C@@H](c2cc(F)cc(F)c2F)CC1O
InChIInChI=1S/C14H18F3NO/c1-14(2,3)18-7-8(4-12(18)19)10-5-9(15)6-11(16)13(10)17/h5-6,8,12,19H,4,7H2,1-3H3/t8-,12?/m0/s1
InChIKeyTWVQPXHHIZPPOP-KBPLZSHQSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol?
The IUPAC name of (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol (CID 161008700) is (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol.
What is the SMILES notation for (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol?
The canonical SMILES for (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol is CC(C)(C)N1C[C@@H](c2cc(F)cc(F)c2F)CC1O.
What is the InChIKey of (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol?
The InChIKey is TWVQPXHHIZPPOP-KBPLZSHQSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-14(2,3)18-7-8(4-12(18)19)10-5-9(15)6-11(16)13(10)17/h5-6,8,12,19H,4,7H2,1-3H3/t8-,12?/m0/s1.
What are the key properties of (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol?
(4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol has a molecular weight of 273.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-(2,3,5-trifluorophenyl)pyrrolidin-2-ol is sourced from PubChem (CID 161008700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).