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

C9H18FNO — CID 164878972

IUPAC[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@@]1(CO)C[C@@H](F)CN1C
InChIInChI=1S/C9H18FNO/c1-3-4-9(7-12)5-8(10)6-11(9)2/h8,12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBZLKBKUDHSHICN-BDAKNGLRSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds3

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

[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol (PubChem CID 164878972) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
PubChem CID164878972
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
SMILESCCC[C@@]1(CO)C[C@@H](F)CN1C
InChIInChI=1S/C9H18FNO/c1-3-4-9(7-12)5-8(10)6-11(9)2/h8,12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBZLKBKUDHSHICN-BDAKNGLRSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol (CID 164878972) is [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol is CCC[C@@]1(CO)C[C@@H](F)CN1C.
What is the InChIKey of [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol?
The InChIKey is BZLKBKUDHSHICN-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-4-9(7-12)5-8(10)6-11(9)2/h8,12H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol?
[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 164878972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).