[(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol

C8H16FNO — CID 130619162

IUPAC[(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol
SMILESCCCN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C8H16FNO/c1-2-3-10-5-7(9)4-8(10)6-11/h7-8,11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeySEWAMENIAANBRN-YUMQZZPRSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol (PubChem CID 130619162) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol
PubChem CID130619162
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol
SMILESCCCN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C8H16FNO/c1-2-3-10-5-7(9)4-8(10)6-11/h7-8,11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeySEWAMENIAANBRN-YUMQZZPRSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
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
[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol
CID 18616423
((2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl)methanol
CID 952314
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
1-[(2S)-1-methylpyrrolidin-2-yl]ethan-1-ol
CID 45087390
((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
(1S)-1-[(2S)-1-Methylpyrrolidin-2-yl]ethanol
CID 92979732

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol (CID 130619162) is [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol is CCCN1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol?
The InChIKey is SEWAMENIAANBRN-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-3-10-5-7(9)4-8(10)6-11/h7-8,11H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 130619162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).