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

C14H19F2NO — CID 158694292

IUPAC(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-14(2,3)17-8-10(18)7-13(17)11-6-9(15)4-5-12(11)16/h4-6,10,13,18H,7-8H2,1-3H3/t10-,13-/m1/s1
InChIKeyIGSXACBCFUZWQA-ZWNOBZJWSA-N
MW255.31 g/mol
LogP2.87
Rot. Bonds1

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

(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol (PubChem CID 158694292) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
PubChem CID158694292
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-14(2,3)17-8-10(18)7-13(17)11-6-9(15)4-5-12(11)16/h4-6,10,13,18H,7-8H2,1-3H3/t10-,13-/m1/s1
InChIKeyIGSXACBCFUZWQA-ZWNOBZJWSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020
(3R,5R)-5-(2,5-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129402157
(3S,5S)-5-(2,5-difluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
CID 129381401
(3S,5R)-5-(2,5-difluorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129372719
[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129481913
5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 71844705
(3R,5S)-5-(2,5-difluorophenyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-ol
CID 98874115
[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129372613
(3S,5R)-5-(2,5-difluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 129397668
5-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129398034
5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 167918948
(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 129447288

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol (CID 158694292) is (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol is CC(C)(C)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The InChIKey is IGSXACBCFUZWQA-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2,3)17-8-10(18)7-13(17)11-6-9(15)4-5-12(11)16/h4-6,10,13,18H,7-8H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol has a molecular weight of 255.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 158694292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).