[1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol

C8H16FNO — CID 130644994

IUPAC[1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CCCN1CCF
InChIInChI=1S/C8H16FNO/c1-8(7-11)3-2-5-10(8)6-4-9/h11H,2-7H2,1H3
InChIKeyOJCPPMJBBLVQMI-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds3

About [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol

[1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol (PubChem CID 130644994) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol
PubChem CID130644994
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CCCN1CCF
InChIInChI=1S/C8H16FNO/c1-8(7-11)3-2-5-10(8)6-4-9/h11H,2-7H2,1H3
InChIKeyOJCPPMJBBLVQMI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol (CID 130644994) is [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol is CC1(CO)CCCN1CCF.
What is the InChIKey of [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
The InChIKey is OJCPPMJBBLVQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(7-11)3-2-5-10(8)6-4-9/h11H,2-7H2,1H3.
What are the key properties of [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol?
[1-(2-fluoroethyl)-2-methylpyrrolidin-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 [1-(2-fluoroethyl)-2-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 130644994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).