[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol

C14H27F2NO — CID 153305224

IUPAC[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)C(N1CC(F)(F)C[C@@H]1CO)C(C)(C)C
InChIInChI=1S/C14H27F2NO/c1-12(2,3)11(13(4,5)6)17-9-14(15,16)7-10(17)8-18/h10-11,18H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyXLILDWWDCZUKOS-SNVBAGLBSA-N
MW263.37 g/mol
LogP3.15
Rot. Bonds2

About [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol

[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol (PubChem CID 153305224) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol
PubChem CID153305224
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)C(N1CC(F)(F)C[C@@H]1CO)C(C)(C)C
InChIInChI=1S/C14H27F2NO/c1-12(2,3)11(13(4,5)6)17-9-14(15,16)7-10(17)8-18/h10-11,18H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyXLILDWWDCZUKOS-SNVBAGLBSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol (CID 153305224) is [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol is CC(C)(C)C(N1CC(F)(F)C[C@@H]1CO)C(C)(C)C.
What is the InChIKey of [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol?
The InChIKey is XLILDWWDCZUKOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-12(2,3)11(13(4,5)6)17-9-14(15,16)7-10(17)8-18/h10-11,18H,7-9H2,1-6H3/t10-/m1/s1.
What are the key properties of [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol?
[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol has a molecular weight of 263.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 153305224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).