[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol

C7H14FNO — CID 79326811

IUPAC[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCF
InChIInChI=1S/C7H14FNO/c8-3-5-9-4-1-2-7(9)6-10/h7,10H,1-6H2/t7-/m0/s1
InChIKeyXRPVTUDBHHBGBM-ZETCQYMHSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds3

About [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol (PubChem CID 79326811) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
PubChem CID79326811
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCF
InChIInChI=1S/C7H14FNO/c8-3-5-9-4-1-2-7(9)6-10/h7,10H,1-6H2/t7-/m0/s1
InChIKeyXRPVTUDBHHBGBM-ZETCQYMHSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol (CID 79326811) is [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCF.
What is the InChIKey of [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XRPVTUDBHHBGBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO/c8-3-5-9-4-1-2-7(9)6-10/h7,10H,1-6H2/t7-/m0/s1.
What are the key properties of [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79326811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).