[(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol

C9H18FNO — CID 177180009

IUPAC[(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol
SMILESCC[C@H](F)C[C@]1(CO)CCCN1
InChIInChI=1S/C9H18FNO/c1-2-8(10)6-9(7-12)4-3-5-11-9/h8,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyUXIASHCEXBXKAH-IUCAKERBSA-N
MW175.25 g/mol
LogP1.24
Rot. Bonds4

About [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol

[(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol (PubChem CID 177180009) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol
PubChem CID177180009
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol
SMILESCC[C@H](F)C[C@]1(CO)CCCN1
InChIInChI=1S/C9H18FNO/c1-2-8(10)6-9(7-12)4-3-5-11-9/h8,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyUXIASHCEXBXKAH-IUCAKERBSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol (CID 177180009) is [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol is CC[C@H](F)C[C@]1(CO)CCCN1.
What is the InChIKey of [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol?
The InChIKey is UXIASHCEXBXKAH-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-8(10)6-9(7-12)4-3-5-11-9/h8,11-12H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol?
[(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 177180009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).