[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol

C9H18FNO — CID 155627114

IUPAC[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyOVHVCSQWPDJTIY-JGVFFNPUSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds1

About [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol

[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 155627114) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
PubChem CID155627114
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyOVHVCSQWPDJTIY-JGVFFNPUSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
((2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl)methanol
CID 952314
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
[1-(Cyclopropylmethyl)-2-pyrrolidinyl]methanol
CID 4207620

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol (CID 155627114) is [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol is CC(C)(C)N1C[C@@H](F)C[C@@H]1CO.
What is the InChIKey of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is OVHVCSQWPDJTIY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 155627114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).